[(Z)-[3-(4-chlorophenyl)sulfanyl-5-(trifluoromethyl)pyridin-2-yl]methylideneamino] benzoate
Formula:C20H12N2O2ClF3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
[(Z)-[3-(4-chlorophenyl)sulfanyl-5-(trifluoromethyl)pyridin-2-yl]methylideneamino] benzoate is not a drug-like molecule.
| MolName | [(Z)-[3-(4-chlorophenyl)sulfanyl-5-(trifluoromethyl)pyridin-2-yl]methylideneamino] benzoate |
| MolecularFormula | C20H12N2O2ClF3S |
| Smiles | O=C(c1ccccc1)O/N=C\c(ncc(C(F)(F)F)c1)c1Sc(cc1)ccc1Cl |
| InChI | InChI=1S/C20H12ClF3N2O2S/c21-15-6-8-16(9-7-15)29-18-10-14(20(22,23)24)11-25-17(18)12-26-28-19(27)13-4-2-1-3-5-13/h1-12H |
| InChIK | UIYRKOIVCWOBQA-UHFFFAOYSA-N |
| TotalMolweight | 436.84 |
| Molweight | 436.84 |
| MonoisotopicMass | 436.026009 |
| CLogP | 6.2466 |
| CLogS | -6.3 |
| H Acceptors | 4 |
| TotalSurfaceArea | 306.42 |
| Relative PSA | 0.20563 |
| PolarSurfaceArea | 76.85 |
| Druglikeness | -9.9856 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.55172 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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