1-[(Z)-(2-chlorophenyl)methylideneamino]-3-(4-fluorophenyl)thiourea
Formula:C14H11N3ClFS
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-[(Z)-(2-chlorophenyl)methylideneamino]-3-(4-fluorophenyl)thiourea is a drug-like molecule.
| MolName | 1-[(Z)-(2-chlorophenyl)methylideneamino]-3-(4-fluorophenyl)thiourea |
| MolecularFormula | C14H11N3ClFS |
| Smiles | Fc(cc1)ccc1NC(N/N=C\c(cccc1)c1Cl)=S |
| InChI | InChI=1S/C14H11ClFN3S/c15-13-4-2-1-3-10(13)9-17-19-14(20)18-12-7-5-11(16)6-8-12/h1-9H,(H2,18,19,20) |
| InChIK | YJXLBKVCUAQDKZ-UHFFFAOYSA-N |
| TotalMolweight | 307.779 |
| Molweight | 307.779 |
| MonoisotopicMass | 307.034622 |
| CLogP | 4.299 |
| CLogS | -5.371 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 235.18 |
| Relative PSA | 0.26546 |
| 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 | 0.7 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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