1-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-(4-fluorophenyl)thiourea
Formula:C14H10N3Cl2FS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-(4-fluorophenyl)thiourea is a drug-like molecule.
| MolName | 1-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-(4-fluorophenyl)thiourea |
| MolecularFormula | C14H10N3Cl2FS |
| Smiles | Fc(cc1)ccc1NC(N/N=C\c(ccc(Cl)c1)c1Cl)=S |
| InChI | InChI=1S/C14H10Cl2FN3S/c15-10-2-1-9(13(16)7-10)8-18-20-14(21)19-12-5-3-11(17)4-6-12/h1-8H,(H2,19,20,21) |
| InChIK | AYEKRVMICSBUMB-UHFFFAOYSA-N |
| TotalMolweight | 342.224 |
| Molweight | 342.224 |
| MonoisotopicMass | 340.995649 |
| CLogP | 4.905 |
| CLogS | -6.107 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 250.6 |
| Relative PSA | 0.24912 |
| PolarSurfaceArea | 68.51 |
| Druglikeness | 0.92359 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.71429 |
| 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 | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 1-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-(4-fluorophenyl)thiourea | 2 - 1-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-(4-fluorophenyl)thiourea
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