4-[(3-hydroxypropyl)amino]-3,5-dinitrobenzoic acid
Chemical Structure Depiction of
4-[(3-hydroxypropyl)amino]-3,5-dinitrobenzoic acid
4-[(3-hydroxypropyl)amino]-3,5-dinitrobenzoic acid
Compound characteristics
| Compound ID: | 8007-0915 |
| Compound Name: | 4-[(3-hydroxypropyl)amino]-3,5-dinitrobenzoic acid |
| Molecular Weight: | 285.21 |
| Molecular Formula: | C10 H11 N3 O7 |
| Smiles: | C(CNc1c(cc(cc1[N+]([O-])=O)C(O)=O)[N+]([O-])=O)CO |
| Stereo: | ACHIRAL |
| logP: | 0.588 |
| logD: | -2.6567 |
| logSw: | -1.7279 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 120.415 |
| InChI Key: | SIMIBTVPAYYYAT-UHFFFAOYSA-N |