2-{[2-(1H-imidazol-4-yl)ethyl]amino}-5-nitrobenzoic acid
Chemical Structure Depiction of
2-{[2-(1H-imidazol-4-yl)ethyl]amino}-5-nitrobenzoic acid
2-{[2-(1H-imidazol-4-yl)ethyl]amino}-5-nitrobenzoic acid
Compound characteristics
| Compound ID: | 8018-8675 |
| Compound Name: | 2-{[2-(1H-imidazol-4-yl)ethyl]amino}-5-nitrobenzoic acid |
| Molecular Weight: | 276.25 |
| Molecular Formula: | C12 H12 N4 O4 |
| Smiles: | C(CNc1ccc(cc1C(O)=O)[N+]([O-])=O)c1c[nH]cn1 |
| Stereo: | ACHIRAL |
| logP: | 1.6111 |
| logD: | -2.0602 |
| logSw: | -2.3189 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.2 |
| InChI Key: | UPIZWJWISGSJLO-UHFFFAOYSA-N |