4-[(2E)-2-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)hydrazinyl]benzenesulfonate
Formula:C16H13N4O4S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(2E)-2-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)hydrazinyl]benzenesulfonate is a drug-like molecule.
| MolName | 4-[(2E)-2-(3-methylidene-5-oxo-1-phenylpyrazolidin-4-ylidene)hydrazinyl]benzenesulfonate |
| MolecularFormula | C16H13N4O4S |
| Smiles | C=C(/C(/C1=O)=N\Nc(cc2)ccc2S([O-])(=O)=O)NN1c1ccccc1 |
| InChI | InChI=1S/C16H14N4O4S/c1-11-15(16(21)20(19-11)13-5-3-2-4-6-13)18-17-12-7-9-14(10-8-12)25(22,23)24/h2-10,17,19H,1H2,(H,22,23,24)/p-1 |
| InChIK | NXFRKYMGVVJWTI-UHFFFAOYSA-M |
| TotalMolweight | 357.369 |
| Molweight | 357.369 |
| MonoisotopicMass | 357.065751 |
| CLogP | -0.2948 |
| CLogS | -1.628 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 252.32 |
| Relative PSA | 0.37207 |
| PolarSurfaceArea | 122.31 |
| Druglikeness | -10.063 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 5 |
| AcidicOxygens | 1 |
| StereoCon |
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