3-[[4-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
Formula:C26H21N3O5
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-[[4-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid is a drug-like molecule.
| MolName | 3-[[4-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid |
| MolecularFormula | C26H21N3O5 |
| Smiles | OC(c1cc(COc2ccc(/C=N\NC(COc3cccc4cccnc34)=O)cc2)ccc1)=O |
| InChI | InChI=1S/C26H21N3O5/c30-24(17-34-23-8-2-5-20-7-3-13-27-25(20)23)29-28-15-18-9-11-22(12-10-18)33-16-19-4-1-6-21(14-19)26(31)32/h1-15H,16-17H2,(H,29,30)(H,31,32) |
| InChIK | IGVQUJZCHWSMEV-UHFFFAOYSA-N |
| TotalMolweight | 455.469 |
| Molweight | 455.469 |
| MonoisotopicMass | 455.148122 |
| CLogP | 3.9257 |
| CLogS | -5.561 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 351.73 |
| Relative PSA | 0.26475 |
| PolarSurfaceArea | 110.11 |
| Druglikeness | 4.0197 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.64706 |
| Fragments | 1 |
| Non HAtoms | 34 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 9 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 5 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 3-[[4-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid | 2 - 3-[[4-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]phenoxy]methyl]benzoic acid
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