[(E)-[amino-(3-nitrophenyl)methylidene]amino] naphthalene-2-sulfonate
Formula:C17H13N3O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[(E)-[amino-(3-nitrophenyl)methylidene]amino] naphthalene-2-sulfonate is a drug-like molecule.
| MolName | [(E)-[amino-(3-nitrophenyl)methylidene]amino] naphthalene-2-sulfonate |
| MolecularFormula | C17H13N3O5S |
| Smiles | N/C(/c1cc([N+]([O-])=O)ccc1)=N/OS(c1cc2ccccc2cc1)(=O)=O |
| InChI | InChI=1S/C17H13N3O5S/c18-17(14-6-3-7-15(10-14)20(21)22)19-25-26(23,24)16-9-8-12-4-1-2-5-13(12)11-16/h1-11H,(H2,18,19) |
| InChIK | VRIWOWPPTZGCIJ-UHFFFAOYSA-N |
| TotalMolweight | 371.372 |
| Molweight | 371.372 |
| MonoisotopicMass | 371.057592 |
| CLogP | 3.5694 |
| CLogS | -4.675 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 261.36 |
| Relative PSA | 0.36647 |
| PolarSurfaceArea | 135.95 |
| Druglikeness | -6.9065 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro |
| Shape Index | 0.57692 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - [(E)-[amino-(3-nitrophenyl)methylidene]amino] naphthalene-2-sulfonate | 2 - [(E)-[amino-(3-nitrophenyl)methylidene]amino] naphthalene-2-sulfonate
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