[(Z)-[2-(4-chlorophenyl)sulfanylphenyl]methylideneamino]thiourea
Formula:C14H12N3ClS2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[2-(4-chlorophenyl)sulfanylphenyl]methylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-[2-(4-chlorophenyl)sulfanylphenyl]methylideneamino]thiourea |
| MolecularFormula | C14H12N3ClS2 |
| Smiles | NC(N/N=C\c(cccc1)c1Sc(cc1)ccc1Cl)=S |
| InChI | InChI=1S/C14H12ClN3S2/c15-11-5-7-12(8-6-11)20-13-4-2-1-3-10(13)9-17-18-14(16)19/h1-9H,(H3,16,18,19) |
| InChIK | JFKHOLZYDXHRGX-UHFFFAOYSA-N |
| TotalMolweight | 321.855 |
| Molweight | 321.855 |
| MonoisotopicMass | 321.016114 |
| CLogP | 3.9591 |
| CLogS | -5.42 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 243.38 |
| Relative PSA | 0.34403 |
| PolarSurfaceArea | 107.8 |
| Druglikeness | 2.6272 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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