5-[(Z)-(4-chlorophenyl)methylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-imine
Formula:C18H13N6Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-[(Z)-(4-chlorophenyl)methylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-imine is a drug-like molecule.
| MolName | 5-[(Z)-(4-chlorophenyl)methylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-imine |
| MolecularFormula | C18H13N6Cl |
| Smiles | N=C(c(cnn1-c2ccccc2)c1N=C1)N1/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C18H13ClN6/c19-14-8-6-13(7-9-14)10-22-24-12-21-18-16(17(24)20)11-23-25(18)15-4-2-1-3-5-15/h1-12,20H |
| InChIK | FCDMMGWXPNVNDB-UHFFFAOYSA-N |
| TotalMolweight | 348.796 |
| Molweight | 348.796 |
| MonoisotopicMass | 348.089021 |
| CLogP | 2.1992 |
| CLogS | -3.975 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 262.79 |
| Relative PSA | 0.22836 |
| PolarSurfaceArea | 69.63 |
| Druglikeness | 4.657 |
| 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 | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 2 |
| BasicNitrogens | 1 |
| StereoCon |
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