1,3-bis[(Z)-(3,4-dichlorophenyl)methylideneamino]thiourea
Formula:C15H10N4Cl4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
1,3-bis[(Z)-(3,4-dichlorophenyl)methylideneamino]thiourea is not a drug-like molecule.
| MolName | 1,3-bis[(Z)-(3,4-dichlorophenyl)methylideneamino]thiourea |
| MolecularFormula | C15H10N4Cl4S |
| Smiles | S=C(N/N=C\c(cc1)cc(Cl)c1Cl)N/N=C\c(cc1)cc(Cl)c1Cl |
| InChI | InChI=1S/C15H10Cl4N4S/c16-11-3-1-9(5-13(11)18)7-20-22-15(24)23-21-8-10-2-4-12(17)14(19)6-10/h1-8H,(H2,22,23,24) |
| InChIK | USIJFGMDDKBLAB-UHFFFAOYSA-N |
| TotalMolweight | 420.15 |
| Molweight | 420.15 |
| MonoisotopicMass | 417.938024 |
| CLogP | 6.4107 |
| CLogS | -7.858 |
| H Acceptors | 4 |
| H Donors | 2 |
| TotalSurfaceArea | 299.85 |
| Relative PSA | 0.24659 |
| 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 | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 11 |
| StereoCon |
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