13-methyl-12-oxo-1,2,3,4,9,9a-hexahydro-4a,9-(epiminoethano)xanthene-11-carboxylic acid
Chemical Structure Depiction of
13-methyl-12-oxo-1,2,3,4,9,9a-hexahydro-4a,9-(epiminoethano)xanthene-11-carboxylic acid
13-methyl-12-oxo-1,2,3,4,9,9a-hexahydro-4a,9-(epiminoethano)xanthene-11-carboxylic acid
Compound characteristics
| Compound ID: | 8018-1079 |
| Compound Name: | 13-methyl-12-oxo-1,2,3,4,9,9a-hexahydro-4a,9-(epiminoethano)xanthene-11-carboxylic acid |
| Molecular Weight: | 301.34 |
| Molecular Formula: | C17 H19 N O4 |
| Smiles: | CN1C(C(C2C3CCCCC13Oc1ccccc12)C(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.6667 |
| logD: | -2.3003 |
| logSw: | -2.5147 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.451 |
| InChI Key: | JUWAKUBFCACRJR-UHFFFAOYSA-N |