(Z)-2-(4-chlorophenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile
Formula:C20H19N2Cl
Mutagenic:high
Tumorigenic:low
Reproductive Effective:high
(Z)-2-(4-chlorophenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-2-(4-chlorophenyl)-3-(4-piperidin-1-ylphenyl)prop-2-enenitrile |
| MolecularFormula | C20H19N2Cl |
| Smiles | N#C/C(/c(cc1)ccc1Cl)=C\c(cc1)ccc1N1CCCCC1 |
| InChI | InChI=1S/C20H19ClN2/c21-19-8-6-17(7-9-19)18(15-22)14-16-4-10-20(11-5-16)23-12-2-1-3-13-23/h4-11,14H,1-3,12-13H2 |
| InChIK | RYOWLZADJSDUQR-UHFFFAOYSA-N |
| TotalMolweight | 322.838 |
| Molweight | 322.838 |
| MonoisotopicMass | 322.123675 |
| CLogP | 4.7716 |
| CLogS | -5.357 |
| H Acceptors | 2 |
| TotalSurfaceArea | 260.46 |
| Relative PSA | 0.065691 |
| PolarSurfaceArea | 27.03 |
| Druglikeness | -3.4016 |
| Mutagenic | high |
| Tumorigenic | low |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.65217 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 5 |
| Symmetricatoms | 6 |
| Amines | 1 |
| Aromatic Amines | 1 |
| StereoCon |
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