5-hydrazinyl-2-[(E)-2-(4-hydrazinyl-2-sulfonatophenyl)ethenyl]benzenesulfonate
Formula:C14H14N4O6S2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
5-hydrazinyl-2-[(E)-2-(4-hydrazinyl-2-sulfonatophenyl)ethenyl]benzenesulfonate is a drug-like molecule.
| MolName | 5-hydrazinyl-2-[(E)-2-(4-hydrazinyl-2-sulfonatophenyl)ethenyl]benzenesulfonate |
| MolecularFormula | C14H14N4O6S2 |
| Smiles | NNc1cc(S([O-])(=O)=O)c(/C=C/c(ccc(NN)c2)c2S([O-])(=O)=O)cc1 |
| InChI | InChI=1S/C14H16N4O6S2/c15-17-11-5-3-9(13(7-11)25(19,20)21)1-2-10-4-6-12(18-16)8-14(10)26(22,23)24/h1-8,17-18H,15-16H2,(H,19,20,21)(H,22,23,24)/p-2 |
| InChIK | UFBOIWPLCDSNEG-UHFFFAOYSA-L |
| TotalMolweight | 398.419 |
| Molweight | 398.419 |
| MonoisotopicMass | 398.035476 |
| CLogP | -3.1622 |
| CLogS | -0.552 |
| H Acceptors | 10 |
| H Donors | 4 |
| TotalSurfaceArea | 271.7 |
| Relative PSA | 0.51226 |
| PolarSurfaceArea | 207.26 |
| Druglikeness | -12.664 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | hydrazine |
| Shape Index | 0.53846 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 6 |
| Symmetricatoms | 14 |
| AcidicOxygens | 2 |
| StereoCon |
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