Vasicine
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL2163791 | |
| PubChem: | 667496 | |
| IUPAC: | (3S)-1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-3-ol | |
| Standard InChI: | InChI=1S/C11H12N2O/c14-10-5-6-13-7-8-3-1-2-4-9(8)12-11(10)13/h1-4,10,14H,5-7H2/t10-/m0/s1 | |
| Standard InChI Key: | YIICVSCAKJMMDJ-JTQLQIEISA-N | |
| SMILES: | O[C@H]1CCN2C1=Nc1ccccc1C2 | |
Molecular propeties
| ||
| AlogP: | 1.3 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 1 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 3 | |
| Molecular Weight: | 188.09 | |
| Topological polar surface area: | 35.8 | |
| Number of aromatic rings: | 1 | |
| Fsp3: | 0.364 | |
| Number of carbons: | 11 | |