[4-bromo-2-[(Z)-[[2-(2,3-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Formula:C22H14N2O4BrCl3
Mutagenic:high
Tumorigenic:none
Reproductive Effective:high
[4-bromo-2-[(Z)-[[2-(2,3-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [4-bromo-2-[(Z)-[[2-(2,3-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate |
| MolecularFormula | C22H14N2O4BrCl3 |
| Smiles | O=C(COc(cccc1Cl)c1Cl)N/N=C\c(cc(cc1)Br)c1OC(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C22H14BrCl3N2O4/c23-15-6-9-18(32-22(30)13-4-7-16(24)8-5-13)14(10-15)11-27-28-20(29)12-31-19-3-1-2-17(25)21(19)26/h1-11H,12H2,(H,28,29) |
| InChIK | QDMGXEMEPBLZAZ-UHFFFAOYSA-N |
| TotalMolweight | 556.626 |
| Molweight | 556.626 |
| MonoisotopicMass | 553.92025 |
| CLogP | 6.7502 |
| CLogS | -8.013 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 363.15 |
| Relative PSA | 0.19014 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 2.2306 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | high |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.59375 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 10 |
| Electronegative Atoms | 10 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 18 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - [4-bromo-2-[(Z)-[[2-(2,3-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate | 2 - [4-bromo-2-[(Z)-[[2-(2,3-dichlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
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