(3RS)-1-(3-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Chemical Structure Depiction of
(3RS)-1-(3-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
(3RS)-1-(3-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid
Compound characteristics
| Compound ID: | Y042-7999 |
| Compound Name: | (3RS)-1-(3-nitrophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid |
| Molecular Weight: | 337.33 |
| Molecular Formula: | C18 H15 N3 O4 |
| Smiles: | C1c2c3ccccc3[nH]c2C(c2cccc(c2)[N+]([O-])=O)N[C@@H]1C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.8699 |
| logD: | -0.6655 |
| logSw: | -2.5669 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.589 |
| InChI Key: | CYXGKHWORVZUGJ-VYRBHSGPSA-N |