[4-bromo-2-[(Z)-[[2-(3-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
Formula:C22H15N2O4Br2Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-bromo-2-[(Z)-[[2-(3-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate is not a drug-like molecule.
| MolName | [4-bromo-2-[(Z)-[[2-(3-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate |
| MolecularFormula | C22H15N2O4Br2Cl |
| Smiles | O=C(COc1cc(Cl)ccc1)N/N=C\c(cc(cc1)Br)c1OC(c(cc1)ccc1Br)=O |
| InChI | InChI=1S/C22H15Br2ClN2O4/c23-16-6-4-14(5-7-16)22(29)31-20-9-8-17(24)10-15(20)12-26-27-21(28)13-30-19-3-1-2-18(25)11-19/h1-12H,13H2,(H,27,28) |
| InChIK | PSMLZDPREKKQEB-UHFFFAOYSA-N |
| TotalMolweight | 566.632 |
| Molweight | 566.632 |
| MonoisotopicMass | 563.908707 |
| CLogP | 6.2634 |
| CLogS | -7.375 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 350.94 |
| Relative PSA | 0.19676 |
| 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 | 0.6129 |
| Fragments | 1 |
| Non HAtoms | 31 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| 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-(3-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate | 2 - [4-bromo-2-[(Z)-[[2-(3-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-bromobenzoate
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