[4-[(Z)-[(2-phenoxyacetyl)hydrazinylidene]methyl]phenyl] benzoate
Formula:C22H18N2O4
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[(2-phenoxyacetyl)hydrazinylidene]methyl]phenyl] benzoate is a drug-like molecule.
| MolName | [4-[(Z)-[(2-phenoxyacetyl)hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C22H18N2O4 |
| Smiles | O=C(COc1ccccc1)N/N=C\c(cc1)ccc1OC(c1ccccc1)=O |
| InChI | InChI=1S/C22H18N2O4/c25-21(16-27-19-9-5-2-6-10-19)24-23-15-17-11-13-20(14-12-17)28-22(26)18-7-3-1-4-8-18/h1-15H,16H2,(H,24,25) |
| InChIK | SMSXOLSOXJKNGL-UHFFFAOYSA-N |
| TotalMolweight | 374.395 |
| Molweight | 374.395 |
| MonoisotopicMass | 374.126658 |
| CLogP | 4.207 |
| CLogS | -4.971 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 298.26 |
| Relative PSA | 0.23151 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 3.9689 |
| 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 | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 6 |
| StereoCon |
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1 - [4-[(Z)-[(2-phenoxyacetyl)hydrazinylidene]methyl]phenyl] benzoate | 2 - [4-[(Z)-[(2-phenoxyacetyl)hydrazinylidene]methyl]phenyl] benzoate
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