5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-chlorobenzoic acid
Chemical Structure Depiction of
5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-chlorobenzoic acid
5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-chlorobenzoic acid
Compound characteristics
| Compound ID: | 8018-6893 |
| Compound Name: | 5-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-2-chlorobenzoic acid |
| Molecular Weight: | 305.72 |
| Molecular Formula: | C15 H12 Cl N O4 |
| Smiles: | [H]N(Cc1ccc2c(c1)OCO2)c1ccc(c(c1)C(O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.4288 |
| logD: | -0.3699 |
| logSw: | -3.671 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.997 |
| InChI Key: | BMIYEVAGCCWWIP-UHFFFAOYSA-N |