(Z)-2-(3-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enenitrile
Formula:C15H8NCl3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(Z)-2-(3-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enenitrile is not a drug-like molecule.
| MolName | (Z)-2-(3-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enenitrile |
| MolecularFormula | C15H8NCl3 |
| Smiles | N#C/C(/c1cc(Cl)ccc1)=C\c(ccc(Cl)c1)c1Cl |
| InChI | InChI=1S/C15H8Cl3N/c16-13-3-1-2-10(7-13)12(9-19)6-11-4-5-14(17)8-15(11)18/h1-8H |
| InChIK | OHMQUBMMXPQGHD-UHFFFAOYSA-N |
| TotalMolweight | 308.595 |
| Molweight | 308.595 |
| MonoisotopicMass | 306.97223 |
| CLogP | 5.1506 |
| CLogS | -5.837 |
| H Acceptors | 1 |
| TotalSurfaceArea | 225.7 |
| Relative PSA | 0.06008 |
| PolarSurfaceArea | 23.79 |
| Druglikeness | -4.9679 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| StereoCon |
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1 - (Z)-2-(3-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enenitrile | 2 - (Z)-2-(3-chlorophenyl)-3-(2,4-dichlorophenyl)prop-2-enenitrile
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