N-[(Z)-(4-nitrophenyl)methylideneamino]-5-phenylpyrimidin-2-amine
Formula:C17H13N5O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-nitrophenyl)methylideneamino]-5-phenylpyrimidin-2-amine is a drug-like molecule.
| MolName | N-[(Z)-(4-nitrophenyl)methylideneamino]-5-phenylpyrimidin-2-amine |
| MolecularFormula | C17H13N5O2 |
| Smiles | [O-][N+](c1ccc(/C=N\Nc(nc2)ncc2-c2ccccc2)cc1)=O |
| InChI | InChI=1S/C17H13N5O2/c23-22(24)16-8-6-13(7-9-16)10-20-21-17-18-11-15(12-19-17)14-4-2-1-3-5-14/h1-12H,(H,18,19,21) |
| InChIK | ZXDDYQONHUICLQ-UHFFFAOYSA-N |
| TotalMolweight | 319.323 |
| Molweight | 319.323 |
| MonoisotopicMass | 319.106925 |
| CLogP | 4.3848 |
| CLogS | -4.962 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 250.19 |
| Relative PSA | 0.30109 |
| PolarSurfaceArea | 95.99 |
| Druglikeness | -3.1321 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.70833 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| Aromatic Nitrogens | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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