(E)-2-benzoyl-3-(4-phenylmethoxyphenyl)prop-2-enenitrile
Formula:C23H17NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(E)-2-benzoyl-3-(4-phenylmethoxyphenyl)prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-benzoyl-3-(4-phenylmethoxyphenyl)prop-2-enenitrile |
| MolecularFormula | C23H17NO2 |
| Smiles | N#C/C(/C(c1ccccc1)=O)=C\c(cc1)ccc1OCc1ccccc1 |
| InChI | InChI=1S/C23H17NO2/c24-16-21(23(25)20-9-5-2-6-10-20)15-18-11-13-22(14-12-18)26-17-19-7-3-1-4-8-19/h1-15H,17H2 |
| InChIK | IVCUWJQVROBCDN-UHFFFAOYSA-N |
| TotalMolweight | 339.393 |
| Molweight | 339.393 |
| MonoisotopicMass | 339.125929 |
| CLogP | 4.5039 |
| CLogS | -5.453 |
| H Acceptors | 3 |
| TotalSurfaceArea | 280.71 |
| Relative PSA | 0.13038 |
| PolarSurfaceArea | 50.09 |
| Druglikeness | -4.0251 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| StereoCon |
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