2-[4-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
Formula:C21H18N2O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[4-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C21H18N2O5 |
| Smiles | OC(COc1ccc(/C=N\NC(COc2cc3ccccc3cc2)=O)cc1)=O |
| InChI | InChI=1S/C21H18N2O5/c24-20(13-27-19-10-7-16-3-1-2-4-17(16)11-19)23-22-12-15-5-8-18(9-6-15)28-14-21(25)26/h1-12H,13-14H2,(H,23,24)(H,25,26) |
| InChIK | JFMBPHXSHSXXMD-UHFFFAOYSA-N |
| TotalMolweight | 378.383 |
| Molweight | 378.383 |
| MonoisotopicMass | 378.121573 |
| CLogP | 3.0309 |
| CLogS | -4.9 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 293.21 |
| Relative PSA | 0.28017 |
| PolarSurfaceArea | 97.22 |
| Druglikeness | 4.197 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[4-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetic acid | 2 - 2-[4-[(Z)-[(2-naphthalen-2-yloxyacetyl)hydrazinylidene]methyl]phenoxy]acetic acid
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