[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]thiourea
Formula:C9H8N3F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]thiourea |
| MolecularFormula | C9H8N3F3S |
| Smiles | NC(N/N=C\c1c(C(F)(F)F)cccc1)=S |
| InChI | InChI=1S/C9H8F3N3S/c10-9(11,12)7-4-2-1-3-6(7)5-14-15-8(13)16/h1-5H,(H3,13,15,16) |
| InChIK | IVJQRNPGHXNEJE-UHFFFAOYSA-N |
| TotalMolweight | 247.244 |
| Molweight | 247.244 |
| MonoisotopicMass | 247.039101 |
| CLogP | 2.3803 |
| CLogS | -3.676 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 180.17 |
| Relative PSA | 0.36765 |
| PolarSurfaceArea | 82.5 |
| Druglikeness | -4.9131 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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