12-methyl-11-oxo-2,3,9,9a-tetrahydro-1H-3a,9-(epiminoethano)benzo[b]cyclopenta[e]pyran-10-carboxylic acid
Chemical Structure Depiction of
12-methyl-11-oxo-2,3,9,9a-tetrahydro-1H-3a,9-(epiminoethano)benzo[b]cyclopenta[e]pyran-10-carboxylic acid
12-methyl-11-oxo-2,3,9,9a-tetrahydro-1H-3a,9-(epiminoethano)benzo[b]cyclopenta[e]pyran-10-carboxylic acid
Compound characteristics
| Compound ID: | 8018-5646 |
| Compound Name: | 12-methyl-11-oxo-2,3,9,9a-tetrahydro-1H-3a,9-(epiminoethano)benzo[b]cyclopenta[e]pyran-10-carboxylic acid |
| Molecular Weight: | 287.31 |
| Molecular Formula: | C16 H17 N O4 |
| Smiles: | CN1C(C(C2C3CCCC13Oc1ccccc12)C(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.1708 |
| logD: | -2.7962 |
| logSw: | -2.3307 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.817 |
| InChI Key: | YVFOOLFDKJGXJN-UHFFFAOYSA-N |