[(E)-[1-amino-2-(4-chlorophenyl)sulfanylethylidene]amino] 4-(trifluoromethyl)benzoate
Formula:C16H12N2O2ClF3S
Mutagenic:high
Tumorigenic:high
Reproductive Effective:high
[(E)-[1-amino-2-(4-chlorophenyl)sulfanylethylidene]amino] 4-(trifluoromethyl)benzoate is a drug-like molecule.
| MolName | [(E)-[1-amino-2-(4-chlorophenyl)sulfanylethylidene]amino] 4-(trifluoromethyl)benzoate |
| MolecularFormula | C16H12N2O2ClF3S |
| Smiles | N/C(/CSc(cc1)ccc1Cl)=N/OC(c1ccc(C(F)(F)F)cc1)=O |
| InChI | InChI=1S/C16H12ClF3N2O2S/c17-12-5-7-13(8-6-12)25-9-14(21)22-24-15(23)10-1-3-11(4-2-10)16(18,19)20/h1-8H,9H2,(H2,21,22) |
| InChIK | LEALRQGBGATGPV-UHFFFAOYSA-N |
| TotalMolweight | 388.796 |
| Molweight | 388.796 |
| MonoisotopicMass | 388.026009 |
| CLogP | 4.7392 |
| CLogS | -5.592 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 268.39 |
| Relative PSA | 0.25079 |
| PolarSurfaceArea | 89.98 |
| Druglikeness | -9.2775 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 7 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 6 |
| StereoCon |
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