[4-[(Z)-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate
Formula:C22H15N2O4Br2Cl
Mutagenic:none
Tumorigenic:none
Reproductive Effective:high
[4-[(Z)-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate |
| MolecularFormula | C22H15N2O4Br2Cl |
| Smiles | O=C(COc(ccc(Cl)c1)c1Br)N/N=C\c(cc1)ccc1OC(c1cc(Br)ccc1)=O |
| InChI | InChI=1S/C22H15Br2ClN2O4/c23-16-3-1-2-15(10-16)22(29)31-18-7-4-14(5-8-18)12-26-27-21(28)13-30-20-9-6-17(25)11-19(20)24/h1-12H,13H2,(H,27,28) |
| InChIK | XOTMBCCGJBBKMU-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 | none |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67742 |
| 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 |
Click to Load Molecule:
1 - [4-[(Z)-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate | 2 - [4-[(Z)-[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-bromobenzoate
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