[4-[(Z)-(quinoline-2-carbonylhydrazinylidene)methyl]phenyl] (E)-3-phenylprop-2-enoate
Formula:C26H19N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-(quinoline-2-carbonylhydrazinylidene)methyl]phenyl] (E)-3-phenylprop-2-enoate is not a drug-like molecule.
| MolName | [4-[(Z)-(quinoline-2-carbonylhydrazinylidene)methyl]phenyl] (E)-3-phenylprop-2-enoate |
| MolecularFormula | C26H19N3O3 |
| Smiles | O=C(/C=C/c1ccccc1)Oc1ccc(/C=N\NC(c2nc3ccccc3cc2)=O)cc1 |
| InChI | InChI=1S/C26H19N3O3/c30-25(17-12-19-6-2-1-3-7-19)32-22-14-10-20(11-15-22)18-27-29-26(31)24-16-13-21-8-4-5-9-23(21)28-24/h1-18H,(H,29,31) |
| InChIK | TVPAROFYEMTKEX-UHFFFAOYSA-N |
| TotalMolweight | 421.455 |
| Molweight | 421.455 |
| MonoisotopicMass | 421.142642 |
| CLogP | 5.3313 |
| CLogS | -6.291 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 334.36 |
| Relative PSA | 0.20942 |
| PolarSurfaceArea | 80.65 |
| Druglikeness | 1.862 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6875 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 22 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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