[(E)-[1-amino-2-(benzenesulfonyl)ethylidene]amino] 2,4-difluorobenzenesulfonate
Formula:C14H12N2O5F2S2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[1-amino-2-(benzenesulfonyl)ethylidene]amino] 2,4-difluorobenzenesulfonate is a drug-like molecule.
| MolName | [(E)-[1-amino-2-(benzenesulfonyl)ethylidene]amino] 2,4-difluorobenzenesulfonate |
| MolecularFormula | C14H12N2O5F2S2 |
| Smiles | N/C(/CS(c1ccccc1)(=O)=O)=N/OS(c(ccc(F)c1)c1F)(=O)=O |
| InChI | InChI=1S/C14H12F2N2O5S2/c15-10-6-7-13(12(16)8-10)25(21,22)23-18-14(17)9-24(19,20)11-4-2-1-3-5-11/h1-8H,9H2,(H2,17,18) |
| InChIK | HYIRUKAVLZCHQJ-UHFFFAOYSA-N |
| TotalMolweight | 390.386 |
| Molweight | 390.386 |
| MonoisotopicMass | 390.015569 |
| CLogP | 2.2358 |
| CLogS | -3.348 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 258.13 |
| Relative PSA | 0.36393 |
| PolarSurfaceArea | 132.65 |
| Druglikeness | -14.131 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 4 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - [(E)-[1-amino-2-(benzenesulfonyl)ethylidene]amino] 2,4-difluorobenzenesulfonate | 2 - [(E)-[1-amino-2-(benzenesulfonyl)ethylidene]amino] 2,4-difluorobenzenesulfonate
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