[(Z)-(8-fluoro-4-oxochromen-3-yl)methylideneamino]thiourea
Formula:C11H8N3O2FS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(Z)-(8-fluoro-4-oxochromen-3-yl)methylideneamino]thiourea is a drug-like molecule.
| MolName | [(Z)-(8-fluoro-4-oxochromen-3-yl)methylideneamino]thiourea |
| MolecularFormula | C11H8N3O2FS |
| Smiles | NC(N/N=C\C1=COc(c(F)ccc2)c2C1=O)=S |
| InChI | InChI=1S/C11H8FN3O2S/c12-8-3-1-2-7-9(16)6(5-17-10(7)8)4-14-15-11(13)18/h1-5H,(H3,13,15,18) |
| InChIK | SQGRWNRYCOQHAT-UHFFFAOYSA-N |
| TotalMolweight | 265.268 |
| Molweight | 265.268 |
| MonoisotopicMass | 265.032125 |
| CLogP | 0.7502 |
| CLogS | -3.762 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 196.02 |
| Relative PSA | 0.45546 |
| PolarSurfaceArea | 108.8 |
| Druglikeness | 1.6957 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB; imine/hydrazone of aldehyde; thio-amide/urea |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| StereoCon |
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1 - [(Z)-(8-fluoro-4-oxochromen-3-yl)methylideneamino]thiourea | 2 - [(Z)-(8-fluoro-4-oxochromen-3-yl)methylideneamino]thiourea
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