[(E)-(1-amino-2-pyridin-2-ylsulfonylethylidene)amino] thiophene-2-carboxylate
Formula:C12H11N3O4S2
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[(E)-(1-amino-2-pyridin-2-ylsulfonylethylidene)amino] thiophene-2-carboxylate is a drug-like molecule.
| MolName | [(E)-(1-amino-2-pyridin-2-ylsulfonylethylidene)amino] thiophene-2-carboxylate |
| MolecularFormula | C12H11N3O4S2 |
| Smiles | N/C(/CS(c1ncccc1)(=O)=O)=N/OC(c1cccs1)=O |
| InChI | InChI=1S/C12H11N3O4S2/c13-10(15-19-12(16)9-4-3-7-20-9)8-21(17,18)11-5-1-2-6-14-11/h1-7H,8H2,(H2,13,15) |
| InChIK | OJHNFGHXGRSYMS-UHFFFAOYSA-N |
| TotalMolweight | 325.368 |
| Molweight | 325.368 |
| MonoisotopicMass | 325.019097 |
| CLogP | 0.7728 |
| CLogS | -2.625 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 229.3 |
| Relative PSA | 0.47854 |
| PolarSurfaceArea | 148.33 |
| Druglikeness | -2.8249 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61905 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 3 |
| Symmetricatoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(E)-(1-amino-2-pyridin-2-ylsulfonylethylidene)amino] thiophene-2-carboxylate | 2 - [(E)-(1-amino-2-pyridin-2-ylsulfonylethylidene)amino] thiophene-2-carboxylate
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