4-chloro-N-[(Z)-(4-fluorophenyl)methylideneamino]benzenecarbothioamide
Formula:C14H10N2ClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-chloro-N-[(Z)-(4-fluorophenyl)methylideneamino]benzenecarbothioamide is a drug-like molecule.
| MolName | 4-chloro-N-[(Z)-(4-fluorophenyl)methylideneamino]benzenecarbothioamide |
| MolecularFormula | C14H10N2ClFS |
| Smiles | Fc1ccc(/C=N\NC(c(cc2)ccc2Cl)=S)cc1 |
| InChI | InChI=1S/C14H10ClFN2S/c15-12-5-3-11(4-6-12)14(19)18-17-9-10-1-7-13(16)8-2-10/h1-9H,(H,18,19) |
| InChIK | WTBNQAZZAYXLGW-UHFFFAOYSA-N |
| TotalMolweight | 292.764 |
| Molweight | 292.764 |
| MonoisotopicMass | 292.023723 |
| CLogP | 4.6063 |
| CLogS | -4.701 |
| H Acceptors | 2 |
| H Donors | 1 |
| TotalSurfaceArea | 223.72 |
| Relative PSA | 0.22783 |
| PolarSurfaceArea | 56.48 |
| Druglikeness | 1.1202 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.73684 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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