(E)-2-(2-chlorophenyl)sulfonyl-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]prop-2-enenitrile
Formula:C15H7N2O2Cl2F3S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:low
(E)-2-(2-chlorophenyl)sulfonyl-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]prop-2-enenitrile is a drug-like molecule.
| MolName | (E)-2-(2-chlorophenyl)sulfonyl-3-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]prop-2-enenitrile |
| MolecularFormula | C15H7N2O2Cl2F3S |
| Smiles | N#C/C(/S(c(cccc1)c1Cl)(=O)=O)=C\c(ncc(C(F)(F)F)c1)c1Cl |
| InChI | InChI=1S/C15H7Cl2F3N2O2S/c16-11-3-1-2-4-14(11)25(23,24)10(7-21)6-13-12(17)5-9(8-22-13)15(18,19)20/h1-6,8H |
| InChIK | PYRZTXRCPBVHDI-UHFFFAOYSA-N |
| TotalMolweight | 407.199 |
| Molweight | 407.199 |
| MonoisotopicMass | 405.955736 |
| CLogP | 3.5229 |
| CLogS | -5.722 |
| H Acceptors | 4 |
| TotalSurfaceArea | 267.08 |
| Relative PSA | 0.19885 |
| PolarSurfaceArea | 79.2 |
| Druglikeness | -11.403 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.52 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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