Psoralen
Representations & DB's id
| ||
| ChEBI: | CHEBI:27616 | |
|---|---|---|
| ChEMBL: | CHEMBL164660 | |
| PubChem: | 6199 | |
| IUPAC: | furo[3,2-g]chromen-7-one | |
| Standard InChI: | InChI=1S/C11H6O3/c12-11-2-1-7-5-8-3-4-13-9(8)6-10(7)14-11/h1-6H | |
| Standard InChI Key: | ZCCUUQDIBDJBTK-UHFFFAOYSA-N | |
| SMILES: | O=c1ccc2c(o1)cc1c(c2)cco1 | |
Molecular propeties
| ||
| AlogP: | 2.54 | |
|---|---|---|
| Hydrogen bonds acceptors: | 3 | |
| Hydrogen bonds donors: | 0 | |
| Rotatable bonds: | 0 | |
| Number of rings: | 3 | |
| Molecular Weight: | 186.03 | |
| Topological polar surface area: | 39.4 | |
| Number of aromatic rings: | 3 | |
| Fsp3: | 0 | |
| Number of carbons: | 11 | |