(4E)-4-[(2,5-dichlorophenyl)hydrazinylidene]-5-methylidene-2-phenylpyrazolidin-3-one
Formula:C16H12N4OCl2
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
(4E)-4-[(2,5-dichlorophenyl)hydrazinylidene]-5-methylidene-2-phenylpyrazolidin-3-one is a drug-like molecule.
| MolName | (4E)-4-[(2,5-dichlorophenyl)hydrazinylidene]-5-methylidene-2-phenylpyrazolidin-3-one |
| MolecularFormula | C16H12N4OCl2 |
| Smiles | C=C(/C(/C1=O)=N\Nc(cc(cc2)Cl)c2Cl)NN1c1ccccc1 |
| InChI | InChI=1S/C16H12Cl2N4O/c1-10-15(20-19-14-9-11(17)7-8-13(14)18)16(23)22(21-10)12-5-3-2-4-6-12/h2-9,19,21H,1H2 |
| InChIK | BFINNDZMHHUVPU-UHFFFAOYSA-N |
| TotalMolweight | 347.204 |
| Molweight | 347.204 |
| MonoisotopicMass | 346.038815 |
| CLogP | 4.3941 |
| CLogS | -4.494 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 247.05 |
| Relative PSA | 0.20652 |
| PolarSurfaceArea | 56.73 |
| Druglikeness | 1.6639 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56522 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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