[(Z)-[3-(4-chlorophenyl)sulfanyl-5-(trifluoromethyl)pyridin-2-yl]methylideneamino] thiophene-2-carboxylate
Formula:C18H10N2O2ClF3S2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(Z)-[3-(4-chlorophenyl)sulfanyl-5-(trifluoromethyl)pyridin-2-yl]methylideneamino] thiophene-2-carboxylate is not a drug-like molecule.
| MolName | [(Z)-[3-(4-chlorophenyl)sulfanyl-5-(trifluoromethyl)pyridin-2-yl]methylideneamino] thiophene-2-carboxylate |
| MolecularFormula | C18H10N2O2ClF3S2 |
| Smiles | O=C(c1cccs1)O/N=C\c(ncc(C(F)(F)F)c1)c1Sc(cc1)ccc1Cl |
| InChI | InChI=1S/C18H10ClF3N2O2S2/c19-12-3-5-13(6-4-12)28-16-8-11(18(20,21)22)9-23-14(16)10-24-26-17(25)15-2-1-7-27-15/h1-10H |
| InChIK | ZRSWFDVIZCNMJK-UHFFFAOYSA-N |
| TotalMolweight | 442.868 |
| Molweight | 442.868 |
| MonoisotopicMass | 441.982429 |
| CLogP | 6.1132 |
| CLogS | -6.31 |
| H Acceptors | 4 |
| TotalSurfaceArea | 302.36 |
| Relative PSA | 0.27573 |
| PolarSurfaceArea | 105.09 |
| Druglikeness | -7.6986 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53571 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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