[4-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] benzoate
Formula:C22H18N2O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] benzoate is a drug-like molecule.
| MolName | [4-[(Z)-[(2-phenylacetyl)hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C22H18N2O3 |
| Smiles | O=C(Cc1ccccc1)N/N=C\c(cc1)ccc1OC(c1ccccc1)=O |
| InChI | InChI=1S/C22H18N2O3/c25-21(15-17-7-3-1-4-8-17)24-23-16-18-11-13-20(14-12-18)27-22(26)19-9-5-2-6-10-19/h1-14,16H,15H2,(H,24,25) |
| InChIK | MAXJNLWZERRNDL-UHFFFAOYSA-N |
| TotalMolweight | 358.396 |
| Molweight | 358.396 |
| MonoisotopicMass | 358.131743 |
| CLogP | 4.6302 |
| CLogS | -5.156 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 288.26 |
| Relative PSA | 0.20485 |
| PolarSurfaceArea | 67.76 |
| Druglikeness | 4.029 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.7037 |
| Fragments | 1 |
| Non HAtoms | 27 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| StereoCon |
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