N-[(Z)-furan-2-ylmethylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
Formula:C16H12N6O
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-furan-2-ylmethylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is a drug-like molecule.
| MolName | N-[(Z)-furan-2-ylmethylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine |
| MolecularFormula | C16H12N6O |
| Smiles | C(c1ccco1)=N\Nc1ncnc2c1cnn2-c1ccccc1 |
| InChI | InChI=1S/C16H12N6O/c1-2-5-12(6-3-1)22-16-14(10-20-22)15(17-11-18-16)21-19-9-13-7-4-8-23-13/h1-11H,(H,17,18,21) |
| InChIK | WOVRARMAXSAMLK-UHFFFAOYSA-N |
| TotalMolweight | 304.312 |
| Molweight | 304.312 |
| MonoisotopicMass | 304.107259 |
| CLogP | 3.5864 |
| CLogS | -4.433 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 238.77 |
| Relative PSA | 0.3219 |
| PolarSurfaceArea | 81.13 |
| Druglikeness | 2.9961 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 4 |
| StereoCon |
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