S-[(5E)-5-[(2-chlorophenyl)methylidene]-4-oxo-1,3-thiazol-2-yl] 4-chlorobenzenecarbothioate
Formula:C17H9NO2Cl2S2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
S-[(5E)-5-[(2-chlorophenyl)methylidene]-4-oxo-1,3-thiazol-2-yl] 4-chlorobenzenecarbothioate is not a drug-like molecule.
| MolName | S-[(5E)-5-[(2-chlorophenyl)methylidene]-4-oxo-1,3-thiazol-2-yl] 4-chlorobenzenecarbothioate |
| MolecularFormula | C17H9NO2Cl2S2 |
| Smiles | O=C(c(cc1)ccc1Cl)SC(S/C1=C/c(cccc2)c2Cl)=NC1=O |
| InChI | InChI=1S/C17H9Cl2NO2S2/c18-12-7-5-10(6-8-12)16(22)24-17-20-15(21)14(23-17)9-11-3-1-2-4-13(11)19/h1-9H |
| InChIK | UQXAKDTZZRYZEJ-UHFFFAOYSA-N |
| TotalMolweight | 394.301 |
| Molweight | 394.301 |
| MonoisotopicMass | 392.945173 |
| CLogP | 5.1437 |
| CLogS | -7.099 |
| H Acceptors | 3 |
| TotalSurfaceArea | 268.52 |
| Relative PSA | 0.27026 |
| PolarSurfaceArea | 97.1 |
| Druglikeness | 2.1027 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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