(E)-3-(2,4-dichlorophenyl)-2-phenylprop-2-enenitrile
Formula:C15H9NCl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(E)-3-(2,4-dichlorophenyl)-2-phenylprop-2-enenitrile is a drug-like molecule.
| MolName | (E)-3-(2,4-dichlorophenyl)-2-phenylprop-2-enenitrile |
| MolecularFormula | C15H9NCl2 |
| Smiles | N#C/C(/c1ccccc1)=C/c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C15H9Cl2N/c16-14-7-6-12(15(17)9-14)8-13(10-18)11-4-2-1-3-5-11/h1-9H |
| InChIK | KMPHRQRSPYKVJB-UHFFFAOYSA-N |
| TotalMolweight | 274.149 |
| Molweight | 274.149 |
| MonoisotopicMass | 273.011203 |
| CLogP | 4.5446 |
| CLogS | -5.101 |
| H Acceptors | 1 |
| TotalSurfaceArea | 210.28 |
| Relative PSA | 0.064485 |
| PolarSurfaceArea | 23.79 |
| Druglikeness | -4.9679 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Symmetricatoms | 2 |
| StereoCon |
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