1-(2-chlorophenyl)-3-[(Z)-2,2-diphenylethylideneamino]thiourea
Formula:C21H18N3ClS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-(2-chlorophenyl)-3-[(Z)-2,2-diphenylethylideneamino]thiourea is not a drug-like molecule.
| MolName | 1-(2-chlorophenyl)-3-[(Z)-2,2-diphenylethylideneamino]thiourea |
| MolecularFormula | C21H18N3ClS |
| Smiles | S=C(Nc(cccc1)c1Cl)N/N=C\C(c1ccccc1)c1ccccc1 |
| InChI | InChI=1S/C21H18ClN3S/c22-19-13-7-8-14-20(19)24-21(26)25-23-15-18(16-9-3-1-4-10-16)17-11-5-2-6-12-17/h1-15,18H,(H2,24,25,26) |
| InChIK | FYHIKBXCYLKPPQ-UHFFFAOYSA-N |
| TotalMolweight | 379.914 |
| Molweight | 379.914 |
| MonoisotopicMass | 379.090994 |
| CLogP | 5.413 |
| CLogS | -6.093 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 301.09 |
| Relative PSA | 0.20735 |
| PolarSurfaceArea | 68.51 |
| Druglikeness | 2.4669 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 8 |
| StereoCon |
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1 - 1-(2-chlorophenyl)-3-[(Z)-2,2-diphenylethylideneamino]thiourea | 2 - 1-(2-chlorophenyl)-3-[(Z)-2,2-diphenylethylideneamino]thiourea
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