1-[(Z)-(2,4-difluorophenyl)methylideneamino]-3-[2-(trifluoromethyl)phenyl]thiourea
Formula:C15H10N3F5S
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
1-[(Z)-(2,4-difluorophenyl)methylideneamino]-3-[2-(trifluoromethyl)phenyl]thiourea is a drug-like molecule.
| MolName | 1-[(Z)-(2,4-difluorophenyl)methylideneamino]-3-[2-(trifluoromethyl)phenyl]thiourea |
| MolecularFormula | C15H10N3F5S |
| Smiles | FC(c(cccc1)c1NC(N/N=C\c(ccc(F)c1)c1F)=S)(F)F |
| InChI | InChI=1S/C15H10F5N3S/c16-10-6-5-9(12(17)7-10)8-21-23-14(24)22-13-4-2-1-3-11(13)15(18,19)20/h1-8H,(H2,22,23,24) |
| InChIK | UGELTIGNVVYWST-UHFFFAOYSA-N |
| TotalMolweight | 359.321 |
| Molweight | 359.321 |
| MonoisotopicMass | 359.051557 |
| CLogP | 4.6421 |
| CLogS | -5.727 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 255.57 |
| Relative PSA | 0.24428 |
| PolarSurfaceArea | 68.51 |
| Druglikeness | -4.9575 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| 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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