2-[3-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenoxy]acetic acid
Formula:C15H13N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[3-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[3-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenoxy]acetic acid |
| MolecularFormula | C15H13N3O4 |
| Smiles | OC(COc1cccc(/C=N\NC(c2cnccc2)=O)c1)=O |
| InChI | InChI=1S/C15H13N3O4/c19-14(20)10-22-13-5-1-3-11(7-13)8-17-18-15(21)12-4-2-6-16-9-12/h1-9H,10H2,(H,18,21)(H,19,20) |
| InChIK | WOQXPMYZZXLMNS-UHFFFAOYSA-N |
| TotalMolweight | 299.285 |
| Molweight | 299.285 |
| MonoisotopicMass | 299.090607 |
| CLogP | 1.2607 |
| CLogS | -2.719 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 233.61 |
| Relative PSA | 0.35581 |
| PolarSurfaceArea | 100.88 |
| Druglikeness | 4.197 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.68182 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[3-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenoxy]acetic acid | 2 - 2-[3-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenoxy]acetic acid
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