[4-bromo-2-[(Z)-[[2-(3-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
Formula:C22H16N2O4BrCl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-bromo-2-[(Z)-[[2-(3-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [4-bromo-2-[(Z)-[[2-(3-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C22H16N2O4BrCl |
| Smiles | O=C(COc1cc(Cl)ccc1)N/N=C\c(cc(cc1)Br)c1OC(c1ccccc1)=O |
| InChI | InChI=1S/C22H16BrClN2O4/c23-17-9-10-20(30-22(28)15-5-2-1-3-6-15)16(11-17)13-25-26-21(27)14-29-19-8-4-7-18(24)12-19/h1-13H,14H2,(H,26,27) |
| InChIK | RXZSKMXISSXNCF-UHFFFAOYSA-N |
| TotalMolweight | 487.736 |
| Molweight | 487.736 |
| MonoisotopicMass | 485.998196 |
| CLogP | 5.5382 |
| CLogS | -6.541 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 332.31 |
| Relative PSA | 0.20779 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 2.2306 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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