(4-chlorophenyl) (1E)-N-anilino-2-oxo-2-thiophen-2-ylethanimidothioate
Formula:C18H13N2OClS2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
(4-chlorophenyl) (1E)-N-anilino-2-oxo-2-thiophen-2-ylethanimidothioate is not a drug-like molecule.
| MolName | (4-chlorophenyl) (1E)-N-anilino-2-oxo-2-thiophen-2-ylethanimidothioate |
| MolecularFormula | C18H13N2OClS2 |
| Smiles | O=C(/C(/Sc(cc1)ccc1Cl)=N\Nc1ccccc1)c1cccs1 |
| InChI | InChI=1S/C18H13ClN2OS2/c19-13-8-10-15(11-9-13)24-18(17(22)16-7-4-12-23-16)21-20-14-5-2-1-3-6-14/h1-12,20H |
| InChIK | IUNSKTLFXXMCIZ-UHFFFAOYSA-N |
| TotalMolweight | 372.899 |
| Molweight | 372.899 |
| MonoisotopicMass | 372.01578 |
| CLogP | 5.7843 |
| CLogS | -5.117 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 273.81 |
| Relative PSA | 0.26975 |
| PolarSurfaceArea | 95 |
| Druglikeness | 4.0745 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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