1-(2,4-dichlorophenyl)-3-[(Z)-(3-hydroxyphenyl)methylideneamino]thiourea
Formula:C14H11N3OCl2S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-(2,4-dichlorophenyl)-3-[(Z)-(3-hydroxyphenyl)methylideneamino]thiourea is a drug-like molecule.
| MolName | 1-(2,4-dichlorophenyl)-3-[(Z)-(3-hydroxyphenyl)methylideneamino]thiourea |
| MolecularFormula | C14H11N3OCl2S |
| Smiles | Oc1cccc(/C=N\NC(Nc(ccc(Cl)c2)c2Cl)=S)c1 |
| InChI | InChI=1S/C14H11Cl2N3OS/c15-10-4-5-13(12(16)7-10)18-14(21)19-17-8-9-2-1-3-11(20)6-9/h1-8,20H,(H2,18,19,21) |
| InChIK | JYXMPCMBZPEOJL-UHFFFAOYSA-N |
| TotalMolweight | 340.233 |
| Molweight | 340.233 |
| MonoisotopicMass | 338.999986 |
| CLogP | 4.4585 |
| CLogS | -5.497 |
| H Acceptors | 4 |
| H Donors | 3 |
| TotalSurfaceArea | 250.6 |
| Relative PSA | 0.3014 |
| PolarSurfaceArea | 88.74 |
| Druglikeness | 2.1861 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| StereoCon |
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