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Sifat fizikal

Sifat fizikal utama	Nilai	Keadaan
Berat molekul	713.78	-
Ketumpatan (diramalkan)	1.315 ± 0.06 g/cm3	Temp: 20 ° C; Tekan: 760 Torr
PKA (diramalkan)	8.23 ± 0.10	Tempatan yang paling berasid: 25 ° C

Nama dan pengenal lain

Smiles Canonical O = C1NC (= O) N (C = C1C (= O) NCC2 = CC = CC = 3C = CC = CC32) C4OC (COC (C = 5C = CC = CC5)
Tersenyum isomerik
C (OC [C@H] 1O [C@H] (C [C @@ H] 1O) N2C = C (C (NCC = 3C4 = C (C = CC3) C = CC = C4) = O) C (= O) NC2 = O)
Inchi
Inchi = 1S/C42H39N3O8/C1-50-32-19-15-30 (16-20-32) 42 (29-12-4-3-5-13-29,31-17-21-33 (51-2) 22-18-31) 5-25-35 (40 (48) 44-41 (45) 49) 39 (47) 43-24-28-11-8-10-27-9-6-7-14-34 (27) 28/H3-22,25,36-38,46H, 4, (H, 44,48,49)/T36-, 37+, 38+/m0/s1
Kunci Inchi
Hdumrqqryjobfs-yxwiycfasa-n

Sifat yang diramalkan

Hartanah tersedia

Biologi

Hartanah tersedia

Kimia

Ketumpatan

Lipinski

Struktur berkaitan

Biologi

Harta	Nilai	Keadaan	Sumber
Faktor Biokonsentrasi	41700	pH 1; Temp: 25 ° C.	(1) ACD
Faktor Biokonsentrasi	41700	pH 2; Temp: 25 ° C.	(1) ACD
Faktor Biokonsentrasi	41700	pH 3; Temp: 25 ° C.	(1) ACD
Faktor Biokonsentrasi	41700	pH 4; Temp: 25 ° C.	(1) ACD
Faktor Biokonsentrasi	41700	pH 5; Temp: 25 ° C.	(1) ACD
Faktor Biokonsentrasi	41200	pH 6; Temp: 25 ° C.	(1) ACD
Faktor Biokonsentrasi	36900	pH 7; Temp: 25 ° C.	(1) ACD
Faktor Biokonsentrasi	18100	pH 8; Temp: 25 ° C.	(1) ACD
Faktor Biokonsentrasi	3290	pH 9; Temp: 25 ° C.	(1) ACD
Faktor Biokonsentrasi	718	pH 10; Temp: 25 ° C.	(1) ACD

Kimia

Harta	Nilai	Keadaan	Sumber
KOC	70600	pH 1; Temp: 25 ° C.	(1) ACD
KOC	70600	pH 2; Temp: 25 ° C.	(1) ACD
KOC	70600	pH 3; Temp: 25 ° C.	(1) ACD
KOC	70600	pH 4; Temp: 25 ° C.	(1) ACD
KOC	70500	pH 5; Temp: 25 ° C.	(1) ACD
KOC	69700	pH 6; Temp: 25 ° C.	(1) ACD
KOC	62400	pH 7; Temp: 25 ° C.	(1) ACD
KOC	30600	pH 8; Temp: 25 ° C.	(1) ACD
KOC	5560	pH 9; Temp: 25 ° C.	(1) ACD
KOC	1210	pH 10; Temp: 25 ° C.	(1) ACD
logd	6.38	pH 1; Temp: 25 ° C.	(1) ACD
logd	6.38	pH 2; Temp: 25 ° C.	(1) ACD
logd	6.38	pH 3; Temp: 25 ° C.	(1) ACD

Harta	Nilai	Keadaan	Sumber
logd	6.38	pH 4; Temp: 25 ° C.	(1) ACD
logd	6.38	pH 5; Temp: 25 ° C.	(1) ACD
logd	6.38	pH 6; Temp: 25 ° C.	(1) ACD
logd	6.33	pH 7; Temp: 25 ° C.	(1) ACD
logd	6.02	pH 8; Temp: 25 ° C.	(1) ACD
logd	5.28	pH 9; Temp: 25 ° C.	(1) ACD
logd	4.62	pH 10; Temp: 25 ° C.	(1) ACD
logp	6.382 ± 0.644	Temp: 25 ° C.	(1) ACD
Kelarutan intrinsik massa	5.1 x 10-7 g/l	Temp: 25 ° C.	(1) ACD
Kelarutan Massa	5.1 x 10-7 g/l	pH 1; Temp: 25 ° C.	(1) ACD
Kelarutan Massa	5.1 x 10-7 g/l	pH 2; Temp: 25 ° C.	(1) ACD
Kelarutan Massa	5.1 x 10-7 g/l	pH 3; Temp: 25 ° C.	(1) ACD
Kelarutan Massa	5.1 x 10-7 g/l	pH 4; Temp: 25 ° C.	(1) ACD
Kelarutan Massa	5.1 x 10-7 g/l	pH 5; Temp: 25 ° C.	(1) ACD
Kelarutan Massa	5.1 x 10-7 g/l	pH 6; Temp: 25 ° C.	(1) ACD
Kelarutan Massa	5.7 x 10-7 g/l	pH 7; Temp: 25 ° C.	(1) ACD
Kelarutan Massa	1.1 x 10-6 g/l	pH 8; Temp: 25 ° C.	(1) ACD
Kelarutan Massa	6.4 x 10-6 g/l	pH 9; Temp: 25 ° C.	(1) ACD
Kelarutan Massa	2.9 x 10-5 g/l	pH 10; Temp: 25 ° C.	(1) ACD
Kelarutan Massa	5.7 x 10-7 g/l	Air yang tidak disengajakan pH 7.00; Temp: 25 ° C.	(1) ACD
Kelarutan intrinsik molar	7.1 x 10-10 mol/l	Temp: 25 ° C.	(1) ACD
Kelarutan molar	7.1 x 10-10 mol/l	pH 1; Temp: 25 ° C.	(1) ACD
Kelarutan molar	7.1 x 10-10 mol/l	pH 2; Temp: 25 ° C.	(1) ACD
Kelarutan molar	7.1 x 10-10 mol/l	pH 3; Temp: 25 ° C.	(1) ACD
Kelarutan molar	7.1 x 10-10 mol/l	pH 4; Temp: 25 ° C.	(1) ACD
Kelarutan molar	7.1 x 10-10 mol/l	pH 5; Temp: 25 ° C.	(1) ACD
Kelarutan molar	7.2 x 10-10 mol/l	pH 6; Temp: 25 ° C.	(1) ACD
Kelarutan molar	8.0 x 10-10 mol/l	pH 7; Temp: 25 ° C.	(1) ACD
Kelarutan molar	1.6 x 10-9 mol/l	pH 8; Temp: 25 ° C.	(1) ACD
Kelarutan molar	9.0 x 10-9 mol/l	pH 9; Temp: 25 ° C.	(1) ACD
Kelarutan molar	4.1 x 10-8 mol/l	pH 10; Temp: 25 ° C.	(1) ACD
Kelarutan molar	8.0 x 10-10 mol/l	Air yang tidak disengajakan pH 7.00; Temp: 25 ° C.	(1) ACD

Harta	Nilai	Keadaan	Sumber
Berat molekul	713.78
PKA	8.23 ± 0.10	Tempatan yang paling berasid: 25 ° C	(1) ACD
PKA	-1.90 ± 0.20	Tempatan paling asas: 25 ° C	(1) ACD

Ketumpatan

Harta	Nilai	Keadaan	Sumber
Ketumpatan	1.315 ± 0.06 g/cm3	Temp: 20 ° C; Tekan: 760 Torr	(1) ACD
Jumlah molar	542.7 ± 3.0 cm3/mol	Temp: 20 ° C; Tekan: 760 Torr	(1) ACD

Lipinski

Harta	Nilai	Keadaan	Sumber
Ikatan bebas berputar	13		(1) ACD
H penerima	11		(1) ACD
H penderma	3		(1) ACD
H penderma/penerima jumlah	14		(1) ACD
logp	6.382 ± 0.644	Temp: 25 ° C.	(1) ACD
Berat molekul	713.78