4-[(Z)-[(2-phenylquinoline-4-carbonyl)hydrazinylidene]methyl]benzoic acid
Formula:C24H17N3O3
Mutagenic:none
Tumorigenic:high
Reproductive Effective:high
4-[(Z)-[(2-phenylquinoline-4-carbonyl)hydrazinylidene]methyl]benzoic acid is a drug-like molecule.
| MolName | 4-[(Z)-[(2-phenylquinoline-4-carbonyl)hydrazinylidene]methyl]benzoic acid |
| MolecularFormula | C24H17N3O3 |
| Smiles | OC(c1ccc(/C=N\NC(c2cc(-c3ccccc3)nc3ccccc23)=O)cc1)=O |
| InChI | InChI=1S/C24H17N3O3/c28-23(27-25-15-16-10-12-18(13-11-16)24(29)30)20-14-22(17-6-2-1-3-7-17)26-21-9-5-4-8-19(20)21/h1-15H,(H,27,28)(H,29,30) |
| InChIK | GOVJENVJZKBTGP-UHFFFAOYSA-N |
| TotalMolweight | 395.417 |
| Molweight | 395.417 |
| MonoisotopicMass | 395.126992 |
| CLogP | 4.7529 |
| CLogS | -6.218 |
| H Acceptors | 6 |
| H Donors | 2 |
| TotalSurfaceArea | 304.21 |
| Relative PSA | 0.24036 |
| PolarSurfaceArea | 91.65 |
| Druglikeness | 4.1625 |
| Mutagenic | none |
| Tumorigenic | high |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.56667 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - 4-[(Z)-[(2-phenylquinoline-4-carbonyl)hydrazinylidene]methyl]benzoic acid | 2 - 4-[(Z)-[(2-phenylquinoline-4-carbonyl)hydrazinylidene]methyl]benzoic acid
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