(Z)-2-(4-chlorophenyl)-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]prop-2-enenitrile
Formula:C15H7N2Cl2F3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
(Z)-2-(4-chlorophenyl)-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]prop-2-enenitrile is a drug-like molecule.
| MolName | (Z)-2-(4-chlorophenyl)-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]prop-2-enenitrile |
| MolecularFormula | C15H7N2Cl2F3 |
| Smiles | N#C/C(/c(cc1)ccc1Cl)=C\c(ncc(C(F)(F)F)c1)c1Cl |
| InChI | InChI=1S/C15H7Cl2F3N2/c16-12-3-1-9(2-4-12)10(7-21)5-14-13(17)6-11(8-22-14)15(18,19)20/h1-6,8H |
| InChIK | GWJMDWREXYPORP-UHFFFAOYSA-N |
| TotalMolweight | 343.135 |
| Molweight | 343.135 |
| MonoisotopicMass | 341.993836 |
| CLogP | 4.446 |
| CLogS | -5.108 |
| H Acceptors | 2 |
| TotalSurfaceArea | 238.5 |
| Relative PSA | 0.10285 |
| PolarSurfaceArea | 36.68 |
| Druglikeness | -12.158 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.59091 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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