[(Z)-[4-(2-phenylethynyl)phenyl]methylideneamino] benzoate
Formula:C22H15NO2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-[4-(2-phenylethynyl)phenyl]methylideneamino] benzoate is not a drug-like molecule.
| MolName | [(Z)-[4-(2-phenylethynyl)phenyl]methylideneamino] benzoate |
| MolecularFormula | C22H15NO2 |
| Smiles | O=C(c1ccccc1)O/N=C\c(cc1)ccc1C#Cc1ccccc1 |
| InChI | InChI=1S/C22H15NO2/c24-22(21-9-5-2-6-10-21)25-23-17-20-15-13-19(14-16-20)12-11-18-7-3-1-4-8-18/h1-10,13-17H |
| InChIK | YKIVJYGSBVDVSI-UHFFFAOYSA-N |
| TotalMolweight | 325.366 |
| Molweight | 325.366 |
| MonoisotopicMass | 325.110279 |
| CLogP | 6.1021 |
| CLogS | -4.807 |
| H Acceptors | 3 |
| TotalSurfaceArea | 275.09 |
| Relative PSA | 0.1256 |
| PolarSurfaceArea | 38.66 |
| Druglikeness | -7.1192 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.72 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| StereoCon |
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