(4E)-4-[(2-benzoyl-4-chlorophenyl)hydrazinylidene]-5-methylidene-2-phenylpyrazolidin-3-one
Formula:C23H17N4O2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-4-[(2-benzoyl-4-chlorophenyl)hydrazinylidene]-5-methylidene-2-phenylpyrazolidin-3-one is a drug-like molecule.
| MolName | (4E)-4-[(2-benzoyl-4-chlorophenyl)hydrazinylidene]-5-methylidene-2-phenylpyrazolidin-3-one |
| MolecularFormula | C23H17N4O2Cl |
| Smiles | C=C(/C(/C1=O)=N\Nc(ccc(Cl)c2)c2C(c2ccccc2)=O)NN1c1ccccc1 |
| InChI | InChI=1S/C23H17ClN4O2/c1-15-21(23(30)28(27-15)18-10-6-3-7-11-18)26-25-20-13-12-17(24)14-19(20)22(29)16-8-4-2-5-9-16/h2-14,25,27H,1H2 |
| InChIK | CLUHMYUGDSNPHX-UHFFFAOYSA-N |
| TotalMolweight | 416.867 |
| Molweight | 416.867 |
| MonoisotopicMass | 416.104003 |
| CLogP | 4.9181 |
| CLogS | -5.858 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 309.14 |
| Relative PSA | 0.20722 |
| PolarSurfaceArea | 73.8 |
| Druglikeness | 1.7805 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.53333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - (4E)-4-[(2-benzoyl-4-chlorophenyl)hydrazinylidene]-5-methylidene-2-phenylpyrazolidin-3-one | 2 - (4E)-4-[(2-benzoyl-4-chlorophenyl)hydrazinylidene]-5-methylidene-2-phenylpyrazolidin-3-one
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