(Z)-2-(3-chlorophenyl)-3-phenylprop-2-enenitrile
Formula:C15H10NCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
(Z)-2-(3-chlorophenyl)-3-phenylprop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-2-(3-chlorophenyl)-3-phenylprop-2-enenitrile |
| MolecularFormula | C15H10NCl |
| Smiles | N#C/C(/c1cccc(Cl)c1)=C\c1ccccc1 |
| InChI | InChI=1S/C15H10ClN/c16-15-8-4-7-13(10-15)14(11-17)9-12-5-2-1-3-6-12/h1-10H |
| InChIK | OHZIRCUCNGKSMO-UHFFFAOYSA-N |
| TotalMolweight | 239.704 |
| Molweight | 239.704 |
| MonoisotopicMass | 239.050176 |
| CLogP | 3.9386 |
| CLogS | -4.365 |
| H Acceptors | 1 |
| TotalSurfaceArea | 194.86 |
| Relative PSA | 0.069588 |
| PolarSurfaceArea | 23.79 |
| Druglikeness | -4.9679 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58824 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| StereoCon |
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