1,3-bis[(Z)-(4-chlorophenyl)methylideneamino]thiourea
Formula:C15H12N4Cl2S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
1,3-bis[(Z)-(4-chlorophenyl)methylideneamino]thiourea is not a drug-like molecule.
| MolName | 1,3-bis[(Z)-(4-chlorophenyl)methylideneamino]thiourea |
| MolecularFormula | C15H12N4Cl2S |
| Smiles | S=C(N/N=C\c(cc1)ccc1Cl)N/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C15H12Cl2N4S/c16-13-5-1-11(2-6-13)9-18-20-15(22)21-19-10-12-3-7-14(17)8-4-12/h1-10H,(H2,20,21,22) |
| InChIK | IMPWGGGRTFHXJR-UHFFFAOYSA-N |
| TotalMolweight | 351.26 |
| Molweight | 351.26 |
| MonoisotopicMass | 350.01597 |
| CLogP | 5.1987 |
| CLogS | -6.386 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 269.01 |
| Relative PSA | 0.27486 |
| PolarSurfaceArea | 80.87 |
| Druglikeness | 2.0875 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.77273 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 12 |
| StereoCon |
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