prop-2-ynyl N'-[(Z)-(4-fluorophenyl)methylideneamino]carbamimidothioate
Formula:C11H10N3FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
prop-2-ynyl N'-[(Z)-(4-fluorophenyl)methylideneamino]carbamimidothioate is a drug-like molecule.
| MolName | prop-2-ynyl N'-[(Z)-(4-fluorophenyl)methylideneamino]carbamimidothioate |
| MolecularFormula | C11H10N3FS |
| Smiles | C#CCS/C(/N)=N\N=C/c(cc1)ccc1F |
| InChI | InChI=1S/C11H10FN3S/c1-2-7-16-11(13)15-14-8-9-3-5-10(12)6-4-9/h1,3-6,8H,7H2,(H2,13,15) |
| InChIK | QVFFXHHDTZNEEE-UHFFFAOYSA-N |
| TotalMolweight | 235.285 |
| Molweight | 235.285 |
| MonoisotopicMass | 235.057945 |
| CLogP | 3.3252 |
| CLogS | -4.405 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 190.92 |
| Relative PSA | 0.29216 |
| PolarSurfaceArea | 76.04 |
| Druglikeness | 0.59868 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | dimethylene-hydrazine; imine/hydrazone of aldehyde |
| Shape Index | 0.8125 |
| Fragments | 1 |
| Non HAtoms | 16 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 1 |
| Small Rings | 1 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - prop-2-ynyl N'-[(Z)-(4-fluorophenyl)methylideneamino]carbamimidothioate | 2 - prop-2-ynyl N'-[(Z)-(4-fluorophenyl)methylideneamino]carbamimidothioate
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