5-[(Z)-(4-chlorophenyl)methylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-one
Formula:C18H12N5OCl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
5-[(Z)-(4-chlorophenyl)methylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-one is a drug-like molecule.
| MolName | 5-[(Z)-(4-chlorophenyl)methylideneamino]-1-phenylpyrazolo[3,4-d]pyrimidin-4-one |
| MolecularFormula | C18H12N5OCl |
| Smiles | O=C(c(cnn1-c2ccccc2)c1N=C1)N1/N=C\c(cc1)ccc1Cl |
| InChI | InChI=1S/C18H12ClN5O/c19-14-8-6-13(7-9-14)10-21-23-12-20-17-16(18(23)25)11-22-24(17)15-4-2-1-3-5-15/h1-12H |
| InChIK | FIKYQBIHPGNLPS-UHFFFAOYSA-N |
| TotalMolweight | 349.78 |
| Molweight | 349.78 |
| MonoisotopicMass | 349.073037 |
| CLogP | 2.5982 |
| CLogS | -4.795 |
| H Acceptors | 6 |
| TotalSurfaceArea | 260.23 |
| Relative PSA | 0.22077 |
| PolarSurfaceArea | 62.85 |
| Druglikeness | 5.3922 |
| 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 |
| StereoCon |
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