Pentazocine
Representations & DB's id
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| ChEBI: | CHEBI:7982 | |
|---|---|---|
| ChEMBL: | CHEMBL560 | |
| PubChem: | 441278 | |
| IUPAC: | (1R,9R,13R)-1,13-dimethyl-10-(3-methylbut-2-enyl)-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol | |
| Standard InChI: | InChI=1S/C19H27NO/c1-13(2)7-9-20-10-8-19(4)14(3)18(20)11-15-5-6-16(21)12-17(15)19/h5-7,12,14,18,21H,8-11H2,1-4H3/t14-,18+,19+/m0/s1 | |
| Standard InChI Key: | VOKSWYLNZZRQPF-GDIGMMSISA-N | |
| SMILES: | CC(=CCN1CC[C@@]2([C@H]([C@H]1Cc1c2cc(cc1)O)C)C)C | |
Molecular propeties
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| AlogP: | 3.88 | |
|---|---|---|
| Hydrogen bonds acceptors: | 2 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 2 | |
| Number of rings: | 3 | |
| Molecular Weight: | 285.21 | |
| Topological polar surface area: | 23.5 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.579 | |
| Number of carbons: | 19 | |