2-[4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetic acid
Formula:C15H14N2O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-[4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[4-[(Z)-(phenylhydrazinylidene)methyl]phenoxy]acetic acid |
| MolecularFormula | C15H14N2O3 |
| Smiles | OC(COc1ccc(/C=N\Nc2ccccc2)cc1)=O |
| InChI | InChI=1S/C15H14N2O3/c18-15(19)11-20-14-8-6-12(7-9-14)10-16-17-13-4-2-1-3-5-13/h1-10,17H,11H2,(H,18,19) |
| InChIK | PQSPHLCYPQXPCH-UHFFFAOYSA-N |
| TotalMolweight | 270.287 |
| Molweight | 270.287 |
| MonoisotopicMass | 270.100443 |
| CLogP | 3.9009 |
| CLogS | -2.942 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 217.1 |
| Relative PSA | 0.27227 |
| PolarSurfaceArea | 70.92 |
| Druglikeness | 1.9945 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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