[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]thiourea
Formula:C8H7N3ClFS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-(2-chloro-6-fluorophenyl)methylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-(2-chloro-6-fluorophenyl)methylideneamino]thiourea |
| MolecularFormula | C8H7N3ClFS |
| Smiles | NC(N/N=C\c(c(F)ccc1)c1Cl)=S |
| InChI | InChI=1S/C8H7ClFN3S/c9-6-2-1-3-7(10)5(6)4-12-13-8(11)14/h1-4H,(H3,11,13,14) |
| InChIK | BPQDBWYSKJBEOP-UHFFFAOYSA-N |
| TotalMolweight | 231.682 |
| Molweight | 231.682 |
| MonoisotopicMass | 231.003322 |
| CLogP | 2.2388 |
| CLogS | -3.948 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 172.48 |
| Relative PSA | 0.38404 |
| PolarSurfaceArea | 82.5 |
| Druglikeness | 0.96 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 2 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| StereoCon |
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