N-[(Z)-benzylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
Formula:C18H14N6
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-benzylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is a drug-like molecule.
| MolName | N-[(Z)-benzylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine |
| MolecularFormula | C18H14N6 |
| Smiles | C(c1ccccc1)=N\Nc1ncnc2c1cnn2-c1ccccc1 |
| InChI | InChI=1S/C18H14N6/c1-3-7-14(8-4-1)11-21-23-17-16-12-22-24(18(16)20-13-19-17)15-9-5-2-6-10-15/h1-13H,(H,19,20,23) |
| InChIK | QEXFBTWEHWPJHE-UHFFFAOYSA-N |
| TotalMolweight | 314.351 |
| Molweight | 314.351 |
| MonoisotopicMass | 314.127994 |
| CLogP | 4.3977 |
| CLogS | -4.751 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 249.08 |
| Relative PSA | 0.25193 |
| PolarSurfaceArea | 67.99 |
| Druglikeness | 3.7236 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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