2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}benzoic acid
Chemical Structure Depiction of
2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}benzoic acid
2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}benzoic acid
Compound characteristics
| Compound ID: | 1290-0038 |
| Compound Name: | 2-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}benzoic acid |
| Molecular Weight: | 271.27 |
| Molecular Formula: | C15 H13 N O4 |
| Smiles: | C(c1ccc2c(c1)OCO2)Nc1ccccc1C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5353 |
| logD: | 0.5757 |
| logSw: | -3.5957 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.299 |
| InChI Key: | JRTZCTMLFIABHX-UHFFFAOYSA-N |