4-[(Z)-[[2-[(2-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]benzoate
Formula:C22H16N2O4Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(Z)-[[2-[(2-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]benzoate is a drug-like molecule.
| MolName | 4-[(Z)-[[2-[(2-chlorophenyl)methoxy]benzoyl]hydrazinylidene]methyl]benzoate |
| MolecularFormula | C22H16N2O4Cl |
| Smiles | [O-]C(c1ccc(/C=N\NC(c(cccc2)c2OCc(cccc2)c2Cl)=O)cc1)=O |
| InChI | InChI=1S/C22H17ClN2O4/c23-19-7-3-1-5-17(19)14-29-20-8-4-2-6-18(20)21(26)25-24-13-15-9-11-16(12-10-15)22(27)28/h1-13H,14H2,(H,25,26)(H,27,28)/p-1 |
| InChIK | AZFRTAADCVHVQF-UHFFFAOYSA-M |
| TotalMolweight | 407.832 |
| Molweight | 407.832 |
| MonoisotopicMass | 407.07986 |
| CLogP | 2.5648 |
| CLogS | -5.811 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 311.21 |
| Relative PSA | 0.23563 |
| PolarSurfaceArea | 90.82 |
| Druglikeness | 4.109 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.62069 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 7 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| AcidicOxygens | 1 |
| StereoCon |
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