6-[(4-methyl-2-nitrophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
6-[(4-methyl-2-nitrophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
6-[(4-methyl-2-nitrophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | Y508-8596 |
| Compound Name: | 6-[(4-methyl-2-nitrophenyl)carbamoyl]cyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 304.3 |
| Molecular Formula: | C15 H16 N2 O5 |
| Smiles: | Cc1ccc(c(c1)[N+]([O-])=O)NC(C1CC=CCC1C(O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.7097 |
| logD: | 0.3539 |
| logSw: | -3.1029 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.313 |
| InChI Key: | UEXKHZZFXLMYOJ-UHFFFAOYSA-N |