2-amino-3-[(Z)-(3-hydroxyphenyl)methylideneamino]-6-(trifluoromethyl)pyrimidin-4-one
Formula:C12H9N4O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-amino-3-[(Z)-(3-hydroxyphenyl)methylideneamino]-6-(trifluoromethyl)pyrimidin-4-one is a drug-like molecule.
| MolName | 2-amino-3-[(Z)-(3-hydroxyphenyl)methylideneamino]-6-(trifluoromethyl)pyrimidin-4-one |
| MolecularFormula | C12H9N4O2F3 |
| Smiles | NC(N1/N=C\c2cc(O)ccc2)=NC(C(F)(F)F)=CC1=O |
| InChI | InChI=1S/C12H9F3N4O2/c13-12(14,15)9-5-10(21)19(11(16)18-9)17-6-7-2-1-3-8(20)4-7/h1-6,20H,(H2,16,18) |
| InChIK | IULBSBHDDPSBTC-UHFFFAOYSA-N |
| TotalMolweight | 298.223 |
| Molweight | 298.223 |
| MonoisotopicMass | 298.06776 |
| CLogP | 1.1861 |
| CLogS | -3.687 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 204.58 |
| Relative PSA | 0.33229 |
| PolarSurfaceArea | 91.28 |
| Druglikeness | -4.1837 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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