N-[(Z)-(4-nitrophenyl)methylideneamino]-2-phenyl-6-(trifluoromethyl)pyrimidin-4-amine
Formula:C18H12N5O2F3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-nitrophenyl)methylideneamino]-2-phenyl-6-(trifluoromethyl)pyrimidin-4-amine is not a drug-like molecule.
| MolName | N-[(Z)-(4-nitrophenyl)methylideneamino]-2-phenyl-6-(trifluoromethyl)pyrimidin-4-amine |
| MolecularFormula | C18H12N5O2F3 |
| Smiles | [O-][N+](c1ccc(/C=N\Nc2cc(C(F)(F)F)nc(-c3ccccc3)n2)cc1)=O |
| InChI | InChI=1S/C18H12F3N5O2/c19-18(20,21)15-10-16(24-17(23-15)13-4-2-1-3-5-13)25-22-11-12-6-8-14(9-7-12)26(27)28/h1-11H,(H,23,24,25) |
| InChIK | JQPTUGJRAVFJBN-UHFFFAOYSA-N |
| TotalMolweight | 387.32 |
| Molweight | 387.32 |
| MonoisotopicMass | 387.094309 |
| CLogP | 5.2528 |
| CLogS | -6.077 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 279.65 |
| Relative PSA | 0.26937 |
| PolarSurfaceArea | 95.99 |
| Druglikeness | -10.322 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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