2-[(Z)-[[4-(quinolin-8-yloxymethyl)benzoyl]hydrazinylidene]methyl]benzoate
Formula:C25H18N3O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
2-[(Z)-[[4-(quinolin-8-yloxymethyl)benzoyl]hydrazinylidene]methyl]benzoate is a drug-like molecule.
| MolName | 2-[(Z)-[[4-(quinolin-8-yloxymethyl)benzoyl]hydrazinylidene]methyl]benzoate |
| MolecularFormula | C25H18N3O4 |
| Smiles | [O-]C(c1c(/C=N\NC(c2ccc(COc3cccc4cccnc34)cc2)=O)cccc1)=O |
| InChI | InChI=1S/C25H19N3O4/c29-24(28-27-15-20-5-1-2-8-21(20)25(30)31)19-12-10-17(11-13-19)16-32-22-9-3-6-18-7-4-14-26-23(18)22/h1-15H,16H2,(H,28,29)(H,30,31)/p-1 |
| InChIK | SVRZMMNVGRMLOP-UHFFFAOYSA-M |
| TotalMolweight | 424.435 |
| Molweight | 424.435 |
| MonoisotopicMass | 424.129732 |
| CLogP | 2.2748 |
| CLogS | -5.781 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 329.15 |
| Relative PSA | 0.25611 |
| PolarSurfaceArea | 103.71 |
| Druglikeness | 4.069 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59375 |
| 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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1 - 2-[(Z)-[[4-(quinolin-8-yloxymethyl)benzoyl]hydrazinylidene]methyl]benzoate | 2 - 2-[(Z)-[[4-(quinolin-8-yloxymethyl)benzoyl]hydrazinylidene]methyl]benzoate
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