[4-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenyl] 3-nitrobenzenesulfonate
Formula:C24H17N3O7S
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenyl] 3-nitrobenzenesulfonate is a drug-like molecule.
| MolName | [4-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenyl] 3-nitrobenzenesulfonate |
| MolecularFormula | C24H17N3O7S |
| Smiles | [O-][N+](c1cccc(S(Oc2ccc(/C=N\NC(c3cc4ccccc4cc3O)=O)cc2)(=O)=O)c1)=O |
| InChI | InChI=1S/C24H17N3O7S/c28-23-13-18-5-2-1-4-17(18)12-22(23)24(29)26-25-15-16-8-10-20(11-9-16)34-35(32,33)21-7-3-6-19(14-21)27(30)31/h1-15,28H,(H,26,29) |
| InChIK | BEYVGDFSXQAVFA-UHFFFAOYSA-N |
| TotalMolweight | 491.479 |
| Molweight | 491.479 |
| MonoisotopicMass | 491.078722 |
| CLogP | 4.0076 |
| CLogS | -6.265 |
| H Acceptors | 10 |
| H Donors | 2 |
| TotalSurfaceArea | 349.95 |
| Relative PSA | 0.33751 |
| PolarSurfaceArea | 159.26 |
| Druglikeness | -13.638 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | aromatic nitro; acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 35 |
| NonCHAtoms | 11 |
| Electronegative Atoms | 11 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 4 |
| Symmetricatoms | 3 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - [4-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenyl] 3-nitrobenzenesulfonate | 2 - [4-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenyl] 3-nitrobenzenesulfonate
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