(4E)-5-methylidene-4-[(4-piperidin-1-ylsulfonylphenyl)hydrazinylidene]pyrazolidin-3-one
Formula:C15H19N5O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(4E)-5-methylidene-4-[(4-piperidin-1-ylsulfonylphenyl)hydrazinylidene]pyrazolidin-3-one is a drug-like molecule.
| MolName | (4E)-5-methylidene-4-[(4-piperidin-1-ylsulfonylphenyl)hydrazinylidene]pyrazolidin-3-one |
| MolecularFormula | C15H19N5O3S |
| Smiles | C=C(/C1=N\Nc(cc2)ccc2S(N2CCCCC2)(=O)=O)NNC1=O |
| InChI | InChI=1S/C15H19N5O3S/c1-11-14(15(21)19-16-11)18-17-12-5-7-13(8-6-12)24(22,23)20-9-3-2-4-10-20/h5-8,16-17H,1-4,9-10H2,(H,19,21) |
| InChIK | XLTGBOIFUCLEHK-UHFFFAOYSA-N |
| TotalMolweight | 349.414 |
| Molweight | 349.414 |
| MonoisotopicMass | 349.12086 |
| CLogP | 1.4209 |
| CLogS | -2.407 |
| H Acceptors | 8 |
| H Donors | 3 |
| TotalSurfaceArea | 251.79 |
| Relative PSA | 0.36165 |
| PolarSurfaceArea | 111.28 |
| Druglikeness | 1.4754 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.58333 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 7 |
| Symmetricatoms | 5 |
| Amides | 1 |
| StereoCon |
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