[4-[(Z)-(3-phenylpropanoylhydrazinylidene)methyl]phenyl] benzoate
Formula:C23H20N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-(3-phenylpropanoylhydrazinylidene)methyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [4-[(Z)-(3-phenylpropanoylhydrazinylidene)methyl]phenyl] benzoate |
| MolecularFormula | C23H20N2O3 |
| Smiles | O=C(CCc1ccccc1)N/N=C\c(cc1)ccc1OC(c1ccccc1)=O |
| InChI | InChI=1S/C23H20N2O3/c26-22(16-13-18-7-3-1-4-8-18)25-24-17-19-11-14-21(15-12-19)28-23(27)20-9-5-2-6-10-20/h1-12,14-15,17H,13,16H2,(H,25,26) |
| InChIK | AUDDWTDQUJCOIX-UHFFFAOYSA-N |
| TotalMolweight | 372.423 |
| Molweight | 372.423 |
| MonoisotopicMass | 372.147393 |
| CLogP | 5.0846 |
| CLogS | -5.426 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 302.02 |
| Relative PSA | 0.19552 |
| PolarSurfaceArea | 67.76 |
| Druglikeness | 2.908 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.71429 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| StereoCon |
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