2-methyl-1-oxo-2,3,4,5-tetrahydro-1H-2-benzazepine-3-carboxylic acid
Chemical Structure Depiction of
2-methyl-1-oxo-2,3,4,5-tetrahydro-1H-2-benzazepine-3-carboxylic acid
2-methyl-1-oxo-2,3,4,5-tetrahydro-1H-2-benzazepine-3-carboxylic acid
Compound characteristics
| Compound ID: | SB12-0099 |
| Compound Name: | 2-methyl-1-oxo-2,3,4,5-tetrahydro-1H-2-benzazepine-3-carboxylic acid |
| Molecular Weight: | 219.24 |
| Molecular Formula: | C12 H13 N O3 |
| Smiles: | CN1C(CCc2ccccc2C1=O)C(O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.6311 |
| logD: | -2.8078 |
| logSw: | -2.0552 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.875 |
| InChI Key: | UQACMEPXCSNJBP-JTQLQIEISA-N |