[3-[(Z)-[(5-nitropyridin-2-yl)hydrazinylidene]methyl]phenyl] naphthalene-2-sulfonate
Formula:C22H16N4O5S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[3-[(Z)-[(5-nitropyridin-2-yl)hydrazinylidene]methyl]phenyl] naphthalene-2-sulfonate is not a drug-like molecule.
| MolName | [3-[(Z)-[(5-nitropyridin-2-yl)hydrazinylidene]methyl]phenyl] naphthalene-2-sulfonate |
| MolecularFormula | C22H16N4O5S |
| Smiles | [O-][N+](c(cc1)cnc1N/N=C\c1cccc(OS(c2cc3ccccc3cc2)(=O)=O)c1)=O |
| InChI | InChI=1S/C22H16N4O5S/c27-26(28)19-9-11-22(23-15-19)25-24-14-16-4-3-7-20(12-16)31-32(29,30)21-10-8-17-5-1-2-6-18(17)13-21/h1-15H,(H,23,25) |
| InChIK | WFDKVNYQVRSIDM-UHFFFAOYSA-N |
| TotalMolweight | 448.458 |
| Molweight | 448.458 |
| MonoisotopicMass | 448.084141 |
| CLogP | 5.3431 |
| CLogS | -5.719 |
| H Acceptors | 9 |
| H Donors | 1 |
| TotalSurfaceArea | 324.61 |
| Relative PSA | 0.31712 |
| PolarSurfaceArea | 134.85 |
| Druglikeness | -5.3027 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; imine/hydrazone of aldehyde |
| Shape Index | 0.625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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