(4E)-2-(benzenesulfonyl)-4-[(3-chlorophenyl)hydrazinylidene]-5-methylidenepyrazolidin-3-one
Formula:C16H13N4O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-2-(benzenesulfonyl)-4-[(3-chlorophenyl)hydrazinylidene]-5-methylidenepyrazolidin-3-one is a drug-like molecule.
| MolName | (4E)-2-(benzenesulfonyl)-4-[(3-chlorophenyl)hydrazinylidene]-5-methylidenepyrazolidin-3-one |
| MolecularFormula | C16H13N4O3ClS |
| Smiles | C=C(/C(/C1=O)=N\Nc2cccc(Cl)c2)NN1S(c1ccccc1)(=O)=O |
| InChI | InChI=1S/C16H13ClN4O3S/c1-11-15(19-18-13-7-5-6-12(17)10-13)16(22)21(20-11)25(23,24)14-8-3-2-4-9-14/h2-10,18,20H,1H2 |
| InChIK | YVTXMEWSBULCKP-UHFFFAOYSA-N |
| TotalMolweight | 376.823 |
| Molweight | 376.823 |
| MonoisotopicMass | 376.039688 |
| CLogP | 3.0605 |
| CLogS | -2.945 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 260.21 |
| Relative PSA | 0.30591 |
| PolarSurfaceArea | 99.25 |
| Druglikeness | -5.0617 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.56 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| StereoCon |
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