4-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-3,5-dinitrobenzoic acid
Chemical Structure Depiction of
4-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-3,5-dinitrobenzoic acid
4-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-3,5-dinitrobenzoic acid
Compound characteristics
| Compound ID: | K781-1343 |
| Compound Name: | 4-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-3,5-dinitrobenzoic acid |
| Molecular Weight: | 335.31 |
| Molecular Formula: | C15 H17 N3 O6 |
| Smiles: | C1CCC(CCNc2c(cc(cc2[N+]([O-])=O)C(O)=O)[N+]([O-])=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.1201 |
| logD: | -0.1246 |
| logSw: | -3.3415 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.68 |
| InChI Key: | MRRYUBVKSSVFLN-UHFFFAOYSA-N |