2-[2-[(Z)-[(2-phenylquinoline-4-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid
Formula:C25H19N3O4
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2-[2-[(Z)-[(2-phenylquinoline-4-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid is a drug-like molecule.
| MolName | 2-[2-[(Z)-[(2-phenylquinoline-4-carbonyl)hydrazinylidene]methyl]phenoxy]acetic acid |
| MolecularFormula | C25H19N3O4 |
| Smiles | OC(COc1c(/C=N\NC(c2cc(-c3ccccc3)nc3ccccc23)=O)cccc1)=O |
| InChI | InChI=1S/C25H19N3O4/c29-24(30)16-32-23-13-7-4-10-18(23)15-26-28-25(31)20-14-22(17-8-2-1-3-9-17)27-21-12-6-5-11-19(20)21/h1-15H,16H2,(H,28,31)(H,29,30) |
| InChIK | PFWBJJNXKGHCFJ-UHFFFAOYSA-N |
| TotalMolweight | 425.443 |
| Molweight | 425.443 |
| MonoisotopicMass | 425.137557 |
| CLogP | 4.3278 |
| CLogS | -5.998 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 327.97 |
| Relative PSA | 0.25344 |
| PolarSurfaceArea | 100.88 |
| Druglikeness | 4.197 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.53125 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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