4-({[(3-chloro-4-hydroxy-5-methoxyphenyl)methyl]amino}methyl)benzoic acid
Chemical Structure Depiction of
4-({[(3-chloro-4-hydroxy-5-methoxyphenyl)methyl]amino}methyl)benzoic acid
4-({[(3-chloro-4-hydroxy-5-methoxyphenyl)methyl]amino}methyl)benzoic acid
Compound characteristics
| Compound ID: | 8020-2890 |
| Compound Name: | 4-({[(3-chloro-4-hydroxy-5-methoxyphenyl)methyl]amino}methyl)benzoic acid |
| Molecular Weight: | 358.22 |
| Molecular Formula: | C16 H16 Cl N O4 |
| Salt: | HCl |
| Smiles: | COc1cc(CNCc2ccc(cc2)C(O)=O)cc(c1O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.9958 |
| logD: | 2.9958 |
| logSw: | -3.1931 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 63.522 |
| InChI Key: | KLQAOHHNSPKIGU-UHFFFAOYSA-N |