(Z)-2-(4-chlorophenyl)-3-(4-phenylphenyl)prop-2-enenitrile
Formula:C21H14NCl
Mutagenic:none
Tumorigenic:low
Reproductive Effective:high
(Z)-2-(4-chlorophenyl)-3-(4-phenylphenyl)prop-2-enenitrile is not a drug-like molecule.
| MolName | (Z)-2-(4-chlorophenyl)-3-(4-phenylphenyl)prop-2-enenitrile |
| MolecularFormula | C21H14NCl |
| Smiles | N#C/C(/c(cc1)ccc1Cl)=C\c(cc1)ccc1-c1ccccc1 |
| InChI | InChI=1S/C21H14ClN/c22-21-12-10-19(11-13-21)20(15-23)14-16-6-8-18(9-7-16)17-4-2-1-3-5-17/h1-14H |
| InChIK | AJXMIAVCEVDVLB-UHFFFAOYSA-N |
| TotalMolweight | 315.802 |
| Molweight | 315.802 |
| MonoisotopicMass | 315.081476 |
| CLogP | 5.5978 |
| CLogS | -6.451 |
| H Acceptors | 1 |
| TotalSurfaceArea | 254.62 |
| Relative PSA | 0.053256 |
| PolarSurfaceArea | 23.79 |
| Druglikeness | -4.9679 |
| Mutagenic | none |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 2 |
| Electronegative Atoms | 2 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Symmetricatoms | 6 |
| StereoCon |
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