[2-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] benzenesulfonate
Formula:C19H15N3O4S
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
[2-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] benzenesulfonate is a drug-like molecule.
| MolName | [2-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] benzenesulfonate |
| MolecularFormula | C19H15N3O4S |
| Smiles | O=C(c1ccncc1)N/N=C\c(cccc1)c1OS(c1ccccc1)(=O)=O |
| InChI | InChI=1S/C19H15N3O4S/c23-19(15-10-12-20-13-11-15)22-21-14-16-6-4-5-9-18(16)26-27(24,25)17-7-2-1-3-8-17/h1-14H,(H,22,23) |
| InChIK | QKZYHJUEYSNFLY-UHFFFAOYSA-N |
| TotalMolweight | 381.411 |
| Molweight | 381.411 |
| MonoisotopicMass | 381.078327 |
| CLogP | 3.0796 |
| CLogS | -3.7 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 284.09 |
| Relative PSA | 0.30117 |
| PolarSurfaceArea | 106.1 |
| Druglikeness | 0.5135 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59259 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 5 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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1 - [2-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] benzenesulfonate | 2 - [2-[(Z)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl] benzenesulfonate
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