(4E)-5-methylidene-4-[(4-phenoxyphenyl)hydrazinylidene]-2-phenylpyrazolidin-3-one
Formula:C22H18N4O2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-5-methylidene-4-[(4-phenoxyphenyl)hydrazinylidene]-2-phenylpyrazolidin-3-one is a drug-like molecule.
| MolName | (4E)-5-methylidene-4-[(4-phenoxyphenyl)hydrazinylidene]-2-phenylpyrazolidin-3-one |
| MolecularFormula | C22H18N4O2 |
| Smiles | C=C(/C(/C1=O)=N\Nc(cc2)ccc2Oc2ccccc2)NN1c1ccccc1 |
| InChI | InChI=1S/C22H18N4O2/c1-16-21(22(27)26(25-16)18-8-4-2-5-9-18)24-23-17-12-14-20(15-13-17)28-19-10-6-3-7-11-19/h2-15,23,25H,1H2 |
| InChIK | CLXNVECXGFRCFO-UHFFFAOYSA-N |
| TotalMolweight | 370.411 |
| Molweight | 370.411 |
| MonoisotopicMass | 370.142976 |
| CLogP | 4.5777 |
| CLogS | -5.319 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 285.97 |
| Relative PSA | 0.21338 |
| PolarSurfaceArea | 65.96 |
| Druglikeness | 1.5325 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| StereoCon |
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