4-{[(2-methoxyphenyl)methyl]amino}-3,5-dinitrobenzoic acid
Chemical Structure Depiction of
4-{[(2-methoxyphenyl)methyl]amino}-3,5-dinitrobenzoic acid
4-{[(2-methoxyphenyl)methyl]amino}-3,5-dinitrobenzoic acid
Compound characteristics
| Compound ID: | K781-1388 |
| Compound Name: | 4-{[(2-methoxyphenyl)methyl]amino}-3,5-dinitrobenzoic acid |
| Molecular Weight: | 347.28 |
| Molecular Formula: | C15 H13 N3 O7 |
| Smiles: | COc1ccccc1CNc1c(cc(cc1[N+]([O-])=O)C(O)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.7758 |
| logD: | -0.4689 |
| logSw: | -3.151 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 111.277 |
| InChI Key: | BKUGSOZYUSKPLO-UHFFFAOYSA-N |