Peganole
Representations & DB's id
| ||
| ChEBI: | None | |
|---|---|---|
| ChEMBL: | CHEMBL2165578 | |
| PubChem: | 3756584 | |
| IUPAC: | 1,2,3,9-tetrahydropyrrolo[2,1-b]quinazolin-9-ol | |
| Standard InChI: | InChI=1S/C11H12N2O/c14-11-8-4-1-2-5-9(8)12-10-6-3-7-13(10)11/h1-2,4-5,11,14H,3,6-7H2 | |
| Standard InChI Key: | RDWJAMWCGSWTQS-UHFFFAOYSA-N | |
| SMILES: | OC1N2CCCC2=Nc2c1cccc2 | |
Molecular propeties
| ||
| AlogP: | 1.82 | |
|---|---|---|
| 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 | |