[(E)-[amino(pyridin-4-yl)methylidene]amino] 2,5-dichlorobenzenesulfonate
Formula:C12H9N3O3Cl2S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
[(E)-[amino(pyridin-4-yl)methylidene]amino] 2,5-dichlorobenzenesulfonate is a drug-like molecule.
| MolName | [(E)-[amino(pyridin-4-yl)methylidene]amino] 2,5-dichlorobenzenesulfonate |
| MolecularFormula | C12H9N3O3Cl2S |
| Smiles | N/C(/c1ccncc1)=N/OS(c(cc(cc1)Cl)c1Cl)(=O)=O |
| InChI | InChI=1S/C12H9Cl2N3O3S/c13-9-1-2-10(14)11(7-9)21(18,19)20-17-12(15)8-3-5-16-6-4-8/h1-7H,(H2,15,17) |
| InChIK | KJOOYTZMKNYQID-UHFFFAOYSA-N |
| TotalMolweight | 346.193 |
| Molweight | 346.193 |
| MonoisotopicMass | 344.974166 |
| CLogP | 3.5077 |
| CLogS | -3.286 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 232.69 |
| Relative PSA | 0.32803 |
| PolarSurfaceArea | 103.02 |
| Druglikeness | 0.073693 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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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1 - [(E)-[amino(pyridin-4-yl)methylidene]amino] 2,5-dichlorobenzenesulfonate | 2 - [(E)-[amino(pyridin-4-yl)methylidene]amino] 2,5-dichlorobenzenesulfonate
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