4-({[4-(phenylethynyl)phenyl]methylidene}amino)benzoic acid
Chemical Structure Depiction of
4-({[4-(phenylethynyl)phenyl]methylidene}amino)benzoic acid
4-({[4-(phenylethynyl)phenyl]methylidene}amino)benzoic acid
Compound characteristics
| Compound ID: | 8005-1003 |
| Compound Name: | 4-({[4-(phenylethynyl)phenyl]methylidene}amino)benzoic acid |
| Molecular Weight: | 325.37 |
| Molecular Formula: | C22 H15 N O2 |
| Smiles: | C(\c1ccc(C#Cc2ccccc2)cc1)=N/c1ccc(cc1)C(O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5397 |
| logD: | 2.1496 |
| logSw: | -5.9138 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.502 |
| InChI Key: | XJSNQPQQWGFUPW-UHFFFAOYSA-N |