2-Methyl-1,3,4,9-Tetrahydropyrido[3,4-B]Indole
Representations & DB's id
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| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL69618 | |
| PubChem: | 121896 | |
| IUPAC: | 2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indole | |
| Standard InChI: | InChI=1S/C12H14N2/c1-14-7-6-10-9-4-2-3-5-11(9)13-12(10)8-14/h2-5,13H,6-8H2,1H3 | |
| Standard InChI Key: | JOFKCNJIUXPJAC-UHFFFAOYSA-N | |
| SMILES: | CN1CCc2c(C1)[nH]c1c2cccc1 | |
Molecular propeties
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| AlogP: | 2.16 | |
|---|---|---|
| Hydrogen bonds acceptors: | 1 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 3 | |
| Molecular Weight: | 186.12 | |
| Topological polar surface area: | 19 | |
| Number of aromatic rings: | 2 | |
| Fsp3: | 0.333 | |
| Number of carbons: | 12 | |