2-[(Z)-[[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinylidene]methyl]benzoic acid
Formula:C22H15N3O4
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
2-[(Z)-[[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinylidene]methyl]benzoic acid is a drug-like molecule.
| MolName | 2-[(Z)-[[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C22H15N3O4 |
| Smiles | OC(c1c(/C=N\NC(c2cc(-c3ccco3)nc3ccccc23)=O)cccc1)=O |
| InChI | InChI=1S/C22H15N3O4/c26-21(25-23-13-14-6-1-2-7-15(14)22(27)28)17-12-19(20-10-5-11-29-20)24-18-9-4-3-8-16(17)18/h1-13H,(H,25,26)(H,27,28) |
| InChIK | MSEOIJPJKDACDP-UHFFFAOYSA-N |
| TotalMolweight | 385.378 |
| Molweight | 385.378 |
| MonoisotopicMass | 385.106257 |
| CLogP | 3.9786 |
| CLogS | -5.568 |
| H Acceptors | 7 |
| H Donors | 2 |
| TotalSurfaceArea | 293.9 |
| Relative PSA | 0.2968 |
| PolarSurfaceArea | 104.79 |
| Druglikeness | 4.0733 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.48276 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 21 |
| Sp3Atoms | 1 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 2-[(Z)-[[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinylidene]methyl]benzoic acid | 2 - 2-[(Z)-[[2-(furan-2-yl)quinoline-4-carbonyl]hydrazinylidene]methyl]benzoic acid
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