4-[(2E)-2-(3-methylidene-5-oxopyrazolidin-4-ylidene)hydrazinyl]benzenesulfonamide
Formula:C10H11N5O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(2E)-2-(3-methylidene-5-oxopyrazolidin-4-ylidene)hydrazinyl]benzenesulfonamide is a drug-like molecule.
| MolName | 4-[(2E)-2-(3-methylidene-5-oxopyrazolidin-4-ylidene)hydrazinyl]benzenesulfonamide |
| MolecularFormula | C10H11N5O3S |
| Smiles | C=C(/C1=N\Nc(cc2)ccc2S(N)(=O)=O)NNC1=O |
| InChI | InChI=1S/C10H11N5O3S/c1-6-9(10(16)15-12-6)14-13-7-2-4-8(5-3-7)19(11,17)18/h2-5,12-13H,1H2,(H,15,16)(H2,11,17,18) |
| InChIK | KSHCLQFURMFDBK-UHFFFAOYSA-N |
| TotalMolweight | 281.295 |
| Molweight | 281.295 |
| MonoisotopicMass | 281.05826 |
| CLogP | -0.0219 |
| CLogS | -2.211 |
| H Acceptors | 8 |
| H Donors | 4 |
| TotalSurfaceArea | 194.71 |
| Relative PSA | 0.52786 |
| PolarSurfaceArea | 134.06 |
| Druglikeness | 2.6905 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 3 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Amides | 1 |
| StereoCon |
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1 - 4-[(2E)-2-(3-methylidene-5-oxopyrazolidin-4-ylidene)hydrazinyl]benzenesulfonamide | 2 - 4-[(2E)-2-(3-methylidene-5-oxopyrazolidin-4-ylidene)hydrazinyl]benzenesulfonamide
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