4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carboxylic acid
4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | Y041-3778 |
| Compound Name: | 4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carboxylic acid |
| Molecular Weight: | 287.32 |
| Molecular Formula: | C15 H17 N3 O3 |
| Smiles: | C1C[C@@H](CC[C@H]1CN1C(c2ccccc2N=N1)=O)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1405 |
| logD: | -0.4198 |
| logSw: | -2.6126 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.533 |
| InChI Key: | TWQKNZCDGPEWJQ-UHFFFAOYSA-N |