[4-bromo-2-[(Z)-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
Formula:C22H15N2O4Br2Cl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-bromo-2-[(Z)-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate is not a drug-like molecule.
| MolName | [4-bromo-2-[(Z)-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate |
| MolecularFormula | C22H15N2O4Br2Cl |
| Smiles | O=C(COc(cc1)ccc1Br)N/N=C\c(cc(cc1)Br)c1OC(c(cc1)ccc1Cl)=O |
| InChI | InChI=1S/C22H15Br2ClN2O4/c23-16-3-8-19(9-4-16)30-13-21(28)27-26-12-15-11-17(24)5-10-20(15)31-22(29)14-1-6-18(25)7-2-14/h1-12H,13H2,(H,27,28) |
| InChIK | YQDKWZXDAOJISM-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 | 0.64516 |
| 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 | 4 |
| StereoCon |
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1 - [4-bromo-2-[(Z)-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate | 2 - [4-bromo-2-[(Z)-[[2-(4-bromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 4-chlorobenzoate
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