4-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-3-nitrobenzoic acid
Chemical Structure Depiction of
4-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-3-nitrobenzoic acid
4-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-3-nitrobenzoic acid
Compound characteristics
| Compound ID: | K781-0429 |
| Compound Name: | 4-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-3-nitrobenzoic acid |
| Molecular Weight: | 290.32 |
| Molecular Formula: | C15 H18 N2 O4 |
| Smiles: | C1CCC(CCNc2ccc(cc2[N+]([O-])=O)C(O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.7978 |
| logD: | 0.9782 |
| logSw: | -4.0172 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.298 |
| InChI Key: | SRHYBNXVJLWXTE-UHFFFAOYSA-N |