| MolName | 2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-4-hydroxy-1H-pyrimidin-6-one |
| MolecularFormula | C11H9N4O2F |
| Smiles | OC(N=C(N/N=C\c(cc1)ccc1F)N1)=CC1=O |
| InChI | InChI=1S/C11H9FN4O2/c12-8-3-1-7(2-4-8)6-13-16-11-14-9(17)5-10(18)15-11/h1-6H,(H3,14,15,16,17,18) |
| InChIK | GGZDJSFGJSNWGC-UHFFFAOYSA-N |
| TotalMolweight | 248.216 |
| Molweight | 248.216 |
| MonoisotopicMass | 248.070954 |
| CLogP | 1.213 |
| CLogS | -4.713 |
| H Acceptors | 6 |
| H Donors | 3 |
| TotalSurfaceArea | 185.57 |
| Relative PSA | 0.38842 |
| PolarSurfaceArea | 86.08 |
| Druglikeness | 1.5506 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | polar activated DB; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| 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 | 1 |
| Symmetricatoms | 2 |
| Amides | 1 |
| BasicNitrogens | 1 |
| StereoCon |
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1 - 2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-4-hydroxy-1H-pyrimidin-6-one | 2 - 2-[(2Z)-2-[(4-fluorophenyl)methylidene]hydrazinyl]-4-hydroxy-1H-pyrimidin-6-one