2-[2-[(Z)-(quinoline-2-carbonylhydrazinylidene)methyl]phenoxy]acetic acid
Formula:C19H15N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[2-[(Z)-(quinoline-2-carbonylhydrazinylidene)methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[2-[(Z)-(quinoline-2-carbonylhydrazinylidene)methyl]phenoxy]acetic acid |
| MolecularFormula | C19H15N3O4 |
| Smiles | OC(COc1c(/C=N\NC(c2nc3ccccc3cc2)=O)cccc1)=O |
| InChI | InChI=1S/C19H15N3O4/c23-18(24)12-26-17-8-4-2-6-14(17)11-20-22-19(25)16-10-9-13-5-1-3-7-15(13)21-16/h1-11H,12H2,(H,22,25)(H,23,24) |
| InChIK | XEJCZCIEZGJWBU-UHFFFAOYSA-N |
| TotalMolweight | 349.345 |
| Molweight | 349.345 |
| MonoisotopicMass | 349.106257 |
| CLogP | 2.6316 |
| CLogS | -4.244 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 268.21 |
| Relative PSA | 0.30991 |
| PolarSurfaceArea | 100.88 |
| Druglikeness | 4.197 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.61538 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 16 |
| Sp3Atoms | 3 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[2-[(Z)-(quinoline-2-carbonylhydrazinylidene)methyl]phenoxy]acetic acid | 2 - 2-[2-[(Z)-(quinoline-2-carbonylhydrazinylidene)methyl]phenoxy]acetic acid
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