[(E)-[amino(pyridin-2-yl)methylidene]amino] benzenesulfonate
Formula:C12H11N3O3S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
[(E)-[amino(pyridin-2-yl)methylidene]amino] benzenesulfonate is a drug-like molecule.
| MolName | [(E)-[amino(pyridin-2-yl)methylidene]amino] benzenesulfonate |
| MolecularFormula | C12H11N3O3S |
| Smiles | N/C(/c1ncccc1)=N/OS(c1ccccc1)(=O)=O |
| InChI | InChI=1S/C12H11N3O3S/c13-12(11-8-4-5-9-14-11)15-18-19(16,17)10-6-2-1-3-7-10/h1-9H,(H2,13,15) |
| InChIK | TWZDQVOIEAHXAL-UHFFFAOYSA-N |
| TotalMolweight | 277.303 |
| Molweight | 277.303 |
| MonoisotopicMass | 277.052112 |
| CLogP | 2.3497 |
| CLogS | -1.838 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 201.85 |
| Relative PSA | 0.37815 |
| PolarSurfaceArea | 103.02 |
| Druglikeness | -5.0527 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.63158 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 3 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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