(5Z)-5-(phenylhydrazinylidene)pyren-4-one
Formula:C22H14N2O
Mutagenic:low
Tumorigenic:high
Reproductive Effective:none
(5Z)-5-(phenylhydrazinylidene)pyren-4-one is not a drug-like molecule.
| MolName | (5Z)-5-(phenylhydrazinylidene)pyren-4-one |
| MolecularFormula | C22H14N2O |
| Smiles | O=C(c1cccc2ccc(cccc34)c4c12)/C3=N\Nc1ccccc1 |
| InChI | InChI=1S/C22H14N2O/c25-22-18-11-5-7-15-13-12-14-6-4-10-17(19(14)20(15)18)21(22)24-23-16-8-2-1-3-9-16/h1-13,23H |
| InChIK | BBGPNAYRLFLIKB-UHFFFAOYSA-N |
| TotalMolweight | 322.366 |
| Molweight | 322.366 |
| MonoisotopicMass | 322.110613 |
| CLogP | 6.6676 |
| CLogS | -6.951 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 240.9 |
| Relative PSA | 0.14948 |
| PolarSurfaceArea | 41.46 |
| Druglikeness | 2.2903 |
| Mutagenic | low |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.48 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 5 |
| Small Rings | 5 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 20 |
| Symmetricatoms | 2 |
| StereoCon |
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