[(E)-[amino(pyridin-4-yl)methylidene]amino] 4-chlorobenzenesulfonate
Formula:C12H10N3O3ClS
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino(pyridin-4-yl)methylidene]amino] 4-chlorobenzenesulfonate is a drug-like molecule.
| MolName | [(E)-[amino(pyridin-4-yl)methylidene]amino] 4-chlorobenzenesulfonate |
| MolecularFormula | C12H10N3O3ClS |
| Smiles | N/C(/c1ccncc1)=N/OS(c(cc1)ccc1Cl)(=O)=O |
| InChI | InChI=1S/C12H10ClN3O3S/c13-10-1-3-11(4-2-10)20(17,18)19-16-12(14)9-5-7-15-8-6-9/h1-8H,(H2,14,16) |
| InChIK | TXULWFLXHKYSJP-UHFFFAOYSA-N |
| TotalMolweight | 311.748 |
| Molweight | 311.748 |
| MonoisotopicMass | 311.013139 |
| CLogP | 2.9017 |
| CLogS | -2.55 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 217.27 |
| Relative PSA | 0.35131 |
| PolarSurfaceArea | 103.02 |
| Druglikeness | 0.46729 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.65 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(E)-[amino(pyridin-4-yl)methylidene]amino] 4-chlorobenzenesulfonate | 2 - [(E)-[amino(pyridin-4-yl)methylidene]amino] 4-chlorobenzenesulfonate
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