N-[(Z)-(4-nitrophenyl)methylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
Formula:C18H13N7O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-nitrophenyl)methylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is a drug-like molecule.
| MolName | N-[(Z)-(4-nitrophenyl)methylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine |
| MolecularFormula | C18H13N7O2 |
| Smiles | [O-][N+](c1ccc(/C=N\Nc2ncnc3c2cnn3-c2ccccc2)cc1)=O |
| InChI | InChI=1S/C18H13N7O2/c26-25(27)15-8-6-13(7-9-15)10-21-23-17-16-11-22-24(18(16)20-12-19-17)14-4-2-1-3-5-14/h1-12H,(H,19,20,23) |
| InChIK | SESZXNGGJUTTKW-UHFFFAOYSA-N |
| TotalMolweight | 359.348 |
| Molweight | 359.348 |
| MonoisotopicMass | 359.113073 |
| CLogP | 3.4761 |
| CLogS | -5.211 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 272.75 |
| Relative PSA | 0.34159 |
| PolarSurfaceArea | 113.81 |
| Druglikeness | -1.7975 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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