(4E)-5-methylidene-2-phenyl-4-[(4-phenylphenyl)hydrazinylidene]pyrazolidin-3-one
Formula:C22H18N4O
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
(4E)-5-methylidene-2-phenyl-4-[(4-phenylphenyl)hydrazinylidene]pyrazolidin-3-one is a drug-like molecule.
| MolName | (4E)-5-methylidene-2-phenyl-4-[(4-phenylphenyl)hydrazinylidene]pyrazolidin-3-one |
| MolecularFormula | C22H18N4O |
| Smiles | C=C(/C(/C1=O)=N\Nc(cc2)ccc2-c2ccccc2)NN1c1ccccc1 |
| InChI | InChI=1S/C22H18N4O/c1-16-21(22(27)26(25-16)20-10-6-3-7-11-20)24-23-19-14-12-18(13-15-19)17-8-4-2-5-9-17/h2-15,23,25H,1H2 |
| InChIK | DYNAFVWPIGIOHY-UHFFFAOYSA-N |
| TotalMolweight | 354.412 |
| Molweight | 354.412 |
| MonoisotopicMass | 354.148061 |
| CLogP | 4.8413 |
| CLogS | -5.108 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 275.97 |
| Relative PSA | 0.18488 |
| PolarSurfaceArea | 56.73 |
| Druglikeness | 1.6454 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.62963 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 4 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 6 |
| StereoCon |
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