2-amino-3-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-6-(trifluoromethyl)pyrimidin-4-one
Formula:C14H11N4OF3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-amino-3-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-6-(trifluoromethyl)pyrimidin-4-one is a drug-like molecule.
| MolName | 2-amino-3-[(Z)-[(E)-3-phenylprop-2-enylidene]amino]-6-(trifluoromethyl)pyrimidin-4-one |
| MolecularFormula | C14H11N4OF3 |
| Smiles | NC(N1/N=C\C=C\c2ccccc2)=NC(C(F)(F)F)=CC1=O |
| InChI | InChI=1S/C14H11F3N4O/c15-14(16,17)11-9-12(22)21(13(18)20-11)19-8-4-7-10-5-2-1-3-6-10/h1-9H,(H2,18,20) |
| InChIK | DXBRQYXSVYNAEB-UHFFFAOYSA-N |
| TotalMolweight | 308.262 |
| Molweight | 308.262 |
| MonoisotopicMass | 308.088495 |
| CLogP | 1.5501 |
| CLogS | -4.275 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 224.73 |
| Relative PSA | 0.2442 |
| PolarSurfaceArea | 71.05 |
| Druglikeness | -4.1673 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.63636 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| BasicNitrogens | 1 |
| StereoCon |
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