2-[4-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenoxy]acetic acid
Formula:C20H16N2O4
Mutagenic:none
Tumorigenic:high
Reproductive Effective:none
2-[4-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[4-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenoxy]acetic acid |
| MolecularFormula | C20H16N2O4 |
| Smiles | OC(COc1ccc(/C=N\NC(c2cccc3ccccc23)=O)cc1)=O |
| InChI | InChI=1S/C20H16N2O4/c23-19(24)13-26-16-10-8-14(9-11-16)12-21-22-20(25)18-7-3-5-15-4-1-2-6-17(15)18/h1-12H,13H2,(H,22,25)(H,23,24) |
| InChIK | ZCRXBGMDFQORPD-UHFFFAOYSA-N |
| TotalMolweight | 348.357 |
| Molweight | 348.357 |
| MonoisotopicMass | 348.111008 |
| CLogP | 3.456 |
| CLogS | -5.12 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 269.45 |
| Relative PSA | 0.26777 |
| PolarSurfaceArea | 87.99 |
| Druglikeness | 4.197 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.65385 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[4-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenoxy]acetic acid | 2 - 2-[4-[(Z)-(naphthalene-1-carbonylhydrazinylidene)methyl]phenoxy]acetic acid
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