(Z)-3-(2-chloro-6-fluorophenyl)-2-(3-chlorophenyl)prop-2-enenitrile
Formula:C15H8NCl2F
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(Z)-3-(2-chloro-6-fluorophenyl)-2-(3-chlorophenyl)prop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-3-(2-chloro-6-fluorophenyl)-2-(3-chlorophenyl)prop-2-enenitrile |
| MolecularFormula | C15H8NCl2F |
| Smiles | N#C/C(/c1cc(Cl)ccc1)=C\c(c(F)ccc1)c1Cl |
| InChI | InChI=1S/C15H8Cl2FN/c16-12-4-1-3-10(7-12)11(9-19)8-13-14(17)5-2-6-15(13)18/h1-8H |
| InChIK | RLEHZRILVKXFRO-UHFFFAOYSA-N |
| TotalMolweight | 292.14 |
| Molweight | 292.14 |
| MonoisotopicMass | 291.001781 |
| CLogP | 4.6454 |
| CLogS | -5.415 |
| H Acceptors | 1 |
| TotalSurfaceArea | 216.63 |
| Relative PSA | 0.062595 |
| PolarSurfaceArea | 23.79 |
| Druglikeness | -6.3079 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.52632 |
| 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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