1-Methoxycarbonyl-Beta-Carboline
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL2229719 | |
| PubChem: | 597266 | |
| IUPAC: | methyl 9H-pyrido[3,4-b]indole-1-carboxylate | |
| Standard InChI: | InChI=1S/C13H10N2O2/c1-17-13(16)12-11-9(6-7-14-12)8-4-2-3-5-10(8)15-11/h2-7,15H,1H3 | |
| Standard InChI Key: | FRNCTTUBAHKEBZ-UHFFFAOYSA-N | |
| SMILES: | COC(=O)c1nccc2c1[nH]c1c2cccc1 | |
Molecular propeties
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| AlogP: | 2.5 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 1 | |
| Number of rings: | 3 | |
| Molecular Weight: | 226.07 | |
| Topological polar surface area: | 55 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0.077 | |
| Number of carbons: | 13 | |