[4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] (E)-3-phenylprop-2-enoate
Formula:C22H17N3O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] (E)-3-phenylprop-2-enoate is a drug-like molecule.
| MolName | [4-[(Z)-(pyridine-3-carbonylhydrazinylidene)methyl]phenyl] (E)-3-phenylprop-2-enoate |
| MolecularFormula | C22H17N3O3 |
| Smiles | O=C(/C=C/c1ccccc1)Oc1ccc(/C=N\NC(c2cnccc2)=O)cc1 |
| InChI | InChI=1S/C22H17N3O3/c26-21(13-10-17-5-2-1-3-6-17)28-20-11-8-18(9-12-20)15-24-25-22(27)19-7-4-14-23-16-19/h1-16H,(H,25,27) |
| InChIK | BKWDVNPZNYJCER-UHFFFAOYSA-N |
| TotalMolweight | 371.395 |
| Molweight | 371.395 |
| MonoisotopicMass | 371.126992 |
| CLogP | 3.9604 |
| CLogS | -4.766 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 299.76 |
| Relative PSA | 0.23359 |
| 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 | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| Aromatic Nitrogens | 1 |
| StereoCon |
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