ALSTERPAULLONE

The Indolo[3,2-d][1]benzazepin-6(5H)-one,7,12-dihydro-9-nitro- is an organic compound with the formula C₁₆H₁₁N₃O₃. The systematic name of this chemical is 9-nitro-7,12-dihydroindolo[3,2-d][1]benzazepin-6(5H)-one. With the CAS registry number 237430-03-4, it is also named as Alsterpaullone. The product's category is Caspases/Apoptosis.

Physical properties about Indolo[3,2-d][1]benzazepin-6(5H)-one,7,12-dihydro-9-nitro- are: (1)ACD/LogP: 3.55; (2)ACD/LogD (pH 5.5): 3.55; (3)ACD/LogD (pH 7.4): 3.55; (4)ACD/BCF (pH 5.5): 292.75; (5)ACD/BCF (pH 7.4): 292.8; (6)ACD/KOC (pH 5.5): 2028.15; (7)ACD/KOC (pH 7.4): 2028.5; (8)#H bond acceptors: 6; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 1; (11)Polar Surface Area: 71.06 Å²; (12)Index of Refraction: 1.737; (13)Molar Refractivity: 80.7 cm³; (14)Molar Volume: 200.6 cm³; (15)Polarizability: 31.99×10^-24cm³; (16)Surface Tension: 70.4 dyne/cm; (17)Density: 1.461 g/cm³; (18)Flash Point: 347.8 °C; (19)Enthalpy of Vaporization: 96.01 kJ/mol; (20)Boiling Point: 651.5 °C at 760 mmHg; (21)Vapour Pressure: 7.4E-17 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: [O-][N+](=O)c4cc1c(nc2c1CC(=O)Nc3ccccc23)cc4
(2)InChI: InChI=1/C16H11N3O3/c20-15-8-12-11-7-9(19(21)22)5-6-14(11)18-16(12)10-3-1-2-4-13(10)17-15/h1-7,18H,8H2,(H,17,20)
(3)InChIKey: OLUKILHGKRVDCT-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C16H11N3O3/c20-15-8-12-11-7-9(19(21)22)5-6-14(11)18-16(12)10-3-1-2-4-13(10)17-15/h1-7,18H,8H2,(H,17,20)
(5)Std. InChIKey: OLUKILHGKRVDCT-UHFFFAOYSA-N