2-[4-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetate
Formula:C20H15N2O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetate is a drug-like molecule.
| MolName | 2-[4-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetate |
| MolecularFormula | C20H15N2O5 |
| Smiles | [O-]C(COc1ccc(/C=N\NC(c2cc3ccccc3cc2O)=O)cc1)=O |
| InChI | InChI=1S/C20H16N2O5/c23-18-10-15-4-2-1-3-14(15)9-17(18)20(26)22-21-11-13-5-7-16(8-6-13)27-12-19(24)25/h1-11,23H,12H2,(H,22,26)(H,24,25)/p-1 |
| InChIK | LMWLDRNHXXAGKS-UHFFFAOYSA-M |
| TotalMolweight | 363.348 |
| Molweight | 363.348 |
| MonoisotopicMass | 363.098098 |
| CLogP | 1.0343 |
| CLogS | -4.824 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 276.98 |
| Relative PSA | 0.31204 |
| PolarSurfaceArea | 111.05 |
| Druglikeness | 4.2424 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 4 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[4-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetate | 2 - 2-[4-[(Z)-[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]phenoxy]acetate
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