3-[5-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
Formula:C23H17N3O5
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
3-[5-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid is a drug-like molecule.
| MolName | 3-[5-[(Z)-[(2-quinolin-8-yloxyacetyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid |
| MolecularFormula | C23H17N3O5 |
| Smiles | OC(c1cc(-c2ccc(/C=N\NC(COc3cccc4cccnc34)=O)o2)ccc1)=O |
| InChI | InChI=1S/C23H17N3O5/c27-21(14-30-20-8-2-4-15-7-3-11-24-22(15)20)26-25-13-18-9-10-19(31-18)16-5-1-6-17(12-16)23(28)29/h1-13H,14H2,(H,26,27)(H,28,29) |
| InChIK | ZUJSLWIHMOGWTC-UHFFFAOYSA-N |
| TotalMolweight | 415.404 |
| Molweight | 415.404 |
| MonoisotopicMass | 415.116822 |
| CLogP | 3.5165 |
| CLogS | -5.68 |
| H Acceptors | 8 |
| H Donors | 2 |
| TotalSurfaceArea | 317.66 |
| Relative PSA | 0.30608 |
| PolarSurfaceArea | 114.02 |
| Druglikeness | 6.2783 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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