3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}benzoic acid
Chemical Structure Depiction of
3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}benzoic acid
3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}benzoic acid
Compound characteristics
| Compound ID: | 7465-0281 |
| Compound Name: | 3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}benzoic acid |
| Molecular Weight: | 271.27 |
| Molecular Formula: | C15 H13 N O4 |
| Smiles: | [H]N(Cc1ccc2c(c1)OCO2)c1cccc(c1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2087 |
| logD: | 0.3272 |
| logSw: | -3.1649 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.997 |
| InChI Key: | CTRIQLUUUXNQKA-UHFFFAOYSA-N |