2-[4-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenoxy]acetic acid
Formula:C18H15N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[4-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[4-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenoxy]acetic acid |
| MolecularFormula | C18H15N3O3 |
| Smiles | OC(COc1ccc(/C=N\Nc2cccc3cccnc23)cc1)=O |
| InChI | InChI=1S/C18H15N3O3/c22-17(23)12-24-15-8-6-13(7-9-15)11-20-21-16-5-1-3-14-4-2-10-19-18(14)16/h1-11,21H,12H2,(H,22,23) |
| InChIK | BLOPMAIQKPLBQJ-UHFFFAOYSA-N |
| TotalMolweight | 321.335 |
| Molweight | 321.335 |
| MonoisotopicMass | 321.111342 |
| CLogP | 4.2169 |
| CLogS | -3.648 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 250.46 |
| Relative PSA | 0.27981 |
| PolarSurfaceArea | 83.81 |
| Druglikeness | 1.9945 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | imine/hydrazone of aldehyde |
| Shape Index | 0.66667 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[4-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenoxy]acetic acid | 2 - 2-[4-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenoxy]acetic acid
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