1-[(Z)-(2-chlorophenyl)methylideneamino]-3-[2-chloro-5-(trifluoromethyl)phenyl]thiourea
Formula:C15H10N3Cl2F3S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-[(Z)-(2-chlorophenyl)methylideneamino]-3-[2-chloro-5-(trifluoromethyl)phenyl]thiourea is not a drug-like molecule.
| MolName | 1-[(Z)-(2-chlorophenyl)methylideneamino]-3-[2-chloro-5-(trifluoromethyl)phenyl]thiourea |
| MolecularFormula | C15H10N3Cl2F3S |
| Smiles | FC(c(cc1)cc(NC(N/N=C\c(cccc2)c2Cl)=S)c1Cl)(F)F |
| InChI | InChI=1S/C15H10Cl2F3N3S/c16-11-4-2-1-3-9(11)8-21-23-14(24)22-13-7-10(15(18,19)20)5-6-12(13)17/h1-8H,(H2,22,23,24) |
| InChIK | YHQPEHQBAIXYKM-UHFFFAOYSA-N |
| TotalMolweight | 392.231 |
| Molweight | 392.231 |
| MonoisotopicMass | 390.992455 |
| CLogP | 5.6525 |
| CLogS | -6.571 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 273.71 |
| Relative PSA | 0.22809 |
| PolarSurfaceArea | 68.51 |
| Druglikeness | -4.9264 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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