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| CAS No.: | 136194-77-9 |
|---|---|
| Name: | GO 6976 |
| Molecular Structure: | |
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| Formula: | C24H18N4O |
| Molecular Weight: | 378.433 |
| Synonyms: | Go 6976;Goe 6976; |
| EINECS: | 200-258-5 |
| Density: | 1.41 g/cm3 |
| Boiling Point: | 652.3 °C at 760 mmHg |
| Flash Point: | 348.3 °C |
| Appearance: | Off-white to yellow solid |
| Safety: | 22-24/25 |
| PSA: | 62.75000 |
| LogP: | 4.92528 |
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Specification
The Go 6976 is an organic compound with the formula C24H18N4O. The systematic name of this chemical is 3-(13-methyl-5-oxo-5,6,7,13-tetrahydro-12H-indolo[2,3-a]pyrrolo[3,4-c]carbazol-12-yl)propanenitrile. With the CAS registry number 136194-77-9, it is also named as 12H-Indolo[2,3-a]pyrrolo[3,4-c]carbazole-12-propanenitrile, 5,6,7,13-tetrahydro-13-methyl-5-oxo-. The product's classification code is Enzyme inhibitors.
Physical properties about Go 6976 are: (1)ACD/LogP: 3.48; (2)ACD/LogD (pH 5.5): 3.48; (3)ACD/LogD (pH 7.4): 3.48; (4)ACD/BCF (pH 5.5): 258.93; (5)ACD/BCF (pH 7.4): 258.93; (6)ACD/KOC (pH 5.5): 1857.63; (7)ACD/KOC (pH 7.4): 1857.63; (8)#H bond acceptors: 5; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 2; (11)Polar Surface Area: 53.96 Å2; (12)Index of Refraction: 1.773; (13)Molar Refractivity: 111.4 cm3; (14)Molar Volume: 267.1 cm3; (15)Polarizability: 44.16×10-24cm3; (16)Surface Tension: 60.6 dyne/cm; (17)Density: 1.41 g/cm3; (18)Flash Point: 348.3 °C; (19)Enthalpy of Vaporization: 96.11 kJ/mol; (20)Boiling Point: 652.3 °C at 760 mmHg; (21)Vapour Pressure: 6.76E-17 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C5c4c1c6c(n(c1c3c(c2ccccc2n3CCC#N)c4CN5)C)cccc6
(2)InChI: InChI=1/C24H18N4O/c1-27-17-9-4-2-7-14(17)20-21-16(13-26-24(21)29)19-15-8-3-5-10-18(15)28(12-6-11-25)23(19)22(20)27/h2-5,7-10H,6,12-13H2,1H3,(H,26,29)
(3)InChIKey: VWVYILCFSYNJHF-UHFFFAOYAV
(4)Std. InChI: InChI=1S/C24H18N4O/c1-27-17-9-4-2-7-14(17)20-21-16(13-26-24(21)29)19-15-8-3-5-10-18(15)28(12-6-11-25)23(19)22(20)27/h2-5,7-10H,6,12-13H2,1H3,(H,26,29)
(5)Std. InChIKey: VWVYILCFSYNJHF-UHFFFAOYSA-N