[(E)-[amino(pyridin-3-yl)methylidene]amino] naphthalene-2-sulfonate
Formula:C16H13N3O3S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino(pyridin-3-yl)methylidene]amino] naphthalene-2-sulfonate is a drug-like molecule.
| MolName | [(E)-[amino(pyridin-3-yl)methylidene]amino] naphthalene-2-sulfonate |
| MolecularFormula | C16H13N3O3S |
| Smiles | N/C(/c1cnccc1)=N/OS(c1cc2ccccc2cc1)(=O)=O |
| InChI | InChI=1S/C16H13N3O3S/c17-16(14-6-3-9-18-11-14)19-22-23(20,21)15-8-7-12-4-1-2-5-13(12)10-15/h1-11H,(H2,17,19) |
| InChIK | XWTYVQMMOGMPPY-UHFFFAOYSA-N |
| TotalMolweight | 327.363 |
| Molweight | 327.363 |
| MonoisotopicMass | 327.067762 |
| CLogP | 3.4901 |
| CLogS | -3.42 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 236.45 |
| Relative PSA | 0.32282 |
| PolarSurfaceArea | 103.02 |
| Druglikeness | -1.04 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6087 |
| Fragments | 1 |
| Non HAtoms | 23 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 4 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 2 |
| Symmetricatoms | 1 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [(E)-[amino(pyridin-3-yl)methylidene]amino] naphthalene-2-sulfonate | 2 - [(E)-[amino(pyridin-3-yl)methylidene]amino] naphthalene-2-sulfonate
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