2-[(2Z)-2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one
Formula:C12H9N4OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(2Z)-2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one is a drug-like molecule.
| MolName | 2-[(2Z)-2-[[2-(trifluoromethyl)phenyl]methylidene]hydrazinyl]-1H-pyrimidin-6-one |
| MolecularFormula | C12H9N4OF3 |
| Smiles | O=C1NC(N/N=C\c2c(C(F)(F)F)cccc2)=NC=C1 |
| InChI | InChI=1S/C12H9F3N4O/c13-12(14,15)9-4-2-1-3-8(9)7-17-19-11-16-6-5-10(20)18-11/h1-7H,(H2,16,18,19,20) |
| InChIK | PCPGZZGZFGJQRZ-UHFFFAOYSA-N |
| TotalMolweight | 282.224 |
| Molweight | 282.224 |
| MonoisotopicMass | 282.072845 |
| CLogP | 1.7704 |
| CLogS | -4.186 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 204.12 |
| Relative PSA | 0.28895 |
| PolarSurfaceArea | 65.85 |
| Druglikeness | -4.7388 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 3 |
| 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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