[(Z)-2,2,2-trifluoroethylideneamino]thiourea
Formula:C3H4N3F3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-2,2,2-trifluoroethylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-2,2,2-trifluoroethylideneamino]thiourea |
| MolecularFormula | C3H4N3F3S |
| Smiles | NC(N/N=C\C(F)(F)F)=S |
| InChI | InChI=1S/C3H4F3N3S/c4-3(5,6)1-8-9-2(7)10/h1H,(H3,7,9,10) |
| InChIK | APUQZWHPCKNYHK-UHFFFAOYSA-N |
| TotalMolweight | 171.146 |
| Molweight | 171.146 |
| MonoisotopicMass | 171.007801 |
| CLogP | 0.2616 |
| CLogS | -2.39 |
| H Acceptors | 3 |
| H Donors | 2 |
| TotalSurfaceArea | 120.41 |
| Relative PSA | 0.55012 |
| 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 | 0.7 |
| Fragments | 1 |
| Non HAtoms | 10 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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