Kumujian A
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL3401839 | |
| PubChem: | 11701473 | |
| IUPAC: | ethyl 9H-pyrido[3,4-b]indole-1-carboxylate | |
| Standard InChI: | InChI=1S/C14H12N2O2/c1-2-18-14(17)13-12-10(7-8-15-13)9-5-3-4-6-11(9)16-12/h3-8,16H,2H2,1H3 | |
| Standard InChI Key: | CFXOOHNXLDSCHT-UHFFFAOYSA-N | |
| SMILES: | CCOC(=O)c1nccc2c1[nH]c1c2cccc1 | |
Molecular propeties
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| AlogP: | 2.89 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 3 | |
| Molecular Weight: | 240.09 | |
| Topological polar surface area: | 55 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.143 | |
| Number of carbons: | 14 | |