N-[(Z)-(4-bromophenyl)methylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
Formula:C18H13N6Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[(Z)-(4-bromophenyl)methylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine is not a drug-like molecule.
| MolName | N-[(Z)-(4-bromophenyl)methylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-amine |
| MolecularFormula | C18H13N6Br |
| Smiles | Brc1ccc(/C=N\Nc2ncnc3c2cnn3-c2ccccc2)cc1 |
| InChI | InChI=1S/C18H13BrN6/c19-14-8-6-13(7-9-14)10-22-24-17-16-11-23-25(18(16)21-12-20-17)15-4-2-1-3-5-15/h1-12H,(H,20,21,24) |
| InChIK | QJJJUSRFDUHHRR-UHFFFAOYSA-N |
| TotalMolweight | 393.247 |
| Molweight | 393.247 |
| MonoisotopicMass | 392.038505 |
| CLogP | 5.1229 |
| CLogS | -5.585 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 267.71 |
| Relative PSA | 0.2344 |
| PolarSurfaceArea | 67.99 |
| Druglikeness | 1.9336 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.64 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| 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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