[(Z)-[5-(trifluoromethoxy)pyridin-2-yl]methylideneamino]thiourea
Formula:C8H7N4OF3S
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
[(Z)-[5-(trifluoromethoxy)pyridin-2-yl]methylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-[5-(trifluoromethoxy)pyridin-2-yl]methylideneamino]thiourea |
| MolecularFormula | C8H7N4OF3S |
| Smiles | NC(N/N=C\c(cc1)ncc1OC(F)(F)F)=S |
| InChI | InChI=1S/C8H7F3N4OS/c9-8(10,11)16-6-2-1-5(13-4-6)3-14-15-7(12)17/h1-4H,(H3,12,15,17) |
| InChIK | IJVCUZQRAIKSLE-UHFFFAOYSA-N |
| TotalMolweight | 264.231 |
| Molweight | 264.231 |
| MonoisotopicMass | 264.029265 |
| CLogP | 1.6841 |
| CLogS | -3.15 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 188.93 |
| Relative PSA | 0.4616 |
| PolarSurfaceArea | 104.62 |
| Druglikeness | -5.9196 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.70588 |
| Fragments | 1 |
| Non HAtoms | 17 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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