5-cyano-5-(1,3-dihydro-2H-benzimidazol-2-ylidene)-4-oxopent-2-enoic acid
Chemical Structure Depiction of
5-cyano-5-(1,3-dihydro-2H-benzimidazol-2-ylidene)-4-oxopent-2-enoic acid
5-cyano-5-(1,3-dihydro-2H-benzimidazol-2-ylidene)-4-oxopent-2-enoic acid
Compound characteristics
| Compound ID: | 6186-3810 |
| Compound Name: | 5-cyano-5-(1,3-dihydro-2H-benzimidazol-2-ylidene)-4-oxopent-2-enoic acid |
| Molecular Weight: | 255.23 |
| Molecular Formula: | C13 H9 N3 O3 |
| Smiles: | C(=C/C(C(C#N)=C1Nc2ccccc2N1)=O)\C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3735 |
| logD: | -3.398 |
| logSw: | -1.9117 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.243 |
| InChI Key: | CVRZPSXMIHERAI-UHFFFAOYSA-N |