N-[(Z)-(4-nitrophenyl)methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine
Formula:C16H12N6O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-nitrophenyl)methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine is a drug-like molecule.
| MolName | N-[(Z)-(4-nitrophenyl)methylideneamino]-4-pyridin-3-ylpyrimidin-2-amine |
| MolecularFormula | C16H12N6O2 |
| Smiles | [O-][N+](c1ccc(/C=N\Nc2nc(-c3cnccc3)ccn2)cc1)=O |
| InChI | InChI=1S/C16H12N6O2/c23-22(24)14-5-3-12(4-6-14)10-19-21-16-18-9-7-15(20-16)13-2-1-8-17-11-13/h1-11H,(H,18,20,21) |
| InChIK | YUYLFUZPWHCCNR-UHFFFAOYSA-N |
| TotalMolweight | 320.311 |
| Molweight | 320.311 |
| MonoisotopicMass | 320.102174 |
| CLogP | 3.4749 |
| CLogS | -3.859 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 248.95 |
| Relative PSA | 0.34666 |
| PolarSurfaceArea | 108.88 |
| Druglikeness | -3.1321 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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