3-[(2Z)-1-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)methoxyimino]ethyl]sulfonyl-5-(trifluoromethyl)pyridine-2-carbonitrile
Formula:C22H13N3O3Cl3F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[(2Z)-1-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)methoxyimino]ethyl]sulfonyl-5-(trifluoromethyl)pyridine-2-carbonitrile is not a drug-like molecule.
| MolName | 3-[(2Z)-1-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)methoxyimino]ethyl]sulfonyl-5-(trifluoromethyl)pyridine-2-carbonitrile |
| MolecularFormula | C22H13N3O3Cl3F3S |
| Smiles | N#Cc(ncc(C(F)(F)F)c1)c1S(C(/C=N\OCc(c(Cl)ccc1)c1Cl)c(cc1)ccc1Cl)(=O)=O |
| InChI | InChI=1S/C22H13Cl3F3N3O3S/c23-15-6-4-13(5-7-15)21(11-31-34-12-16-17(24)2-1-3-18(16)25)35(32,33)20-8-14(22(26,27)28)10-30-19(20)9-29/h1-8,10-11,21H,12H2/t21-/m0/s1 |
| InChIK | ZDFZGKTZDOPCCK-NRFANRHFSA-N |
| TotalMolweight | 562.782 |
| Molweight | 562.782 |
| MonoisotopicMass | 560.969527 |
| CLogP | 5.6763 |
| CLogS | -7.789 |
| H Acceptors | 6 |
| TotalSurfaceArea | 378.57 |
| Relative PSA | 0.19711 |
| PolarSurfaceArea | 100.79 |
| Druglikeness | -8.0031 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.42857 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 13 |
| Electronegative Atoms | 13 |
| StereoCenters | 1 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 5 |
| Symmetricatoms | 8 |
| Aromatic Nitrogens | 1 |
| StereoCon | racemate |
Click to Load Molecule:
1 - 3-[(2Z)-1-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)methoxyimino]ethyl]sulfonyl-5-(trifluoromethyl)pyridine-2-carbonitrile | 2 - 3-[(2Z)-1-(4-chlorophenyl)-2-[(2,6-dichlorophenyl)methoxyimino]ethyl]sulfonyl-5-(trifluoromethyl)pyridine-2-carbonitrile
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