[3-[(Z)-[[2-(2,4,6-tribromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate
Formula:C22H14N2O4Br3F
Mutagenic:low
Tumorigenic:none
Reproductive Effective:high
[3-[(Z)-[[2-(2,4,6-tribromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate is not a drug-like molecule.
| MolName | [3-[(Z)-[[2-(2,4,6-tribromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate |
| MolecularFormula | C22H14N2O4Br3F |
| Smiles | O=C(COc(c(Br)cc(Br)c1)c1Br)N/N=C\c1cc(OC(c2cc(F)ccc2)=O)ccc1 |
| InChI | InChI=1S/C22H14Br3FN2O4/c23-15-9-18(24)21(19(25)10-15)31-12-20(29)28-27-11-13-3-1-6-17(7-13)32-22(30)14-4-2-5-16(26)8-14/h1-11H,12H2,(H,28,29) |
| InChIK | KWSLDRDDCXUQEG-UHFFFAOYSA-N |
| TotalMolweight | 629.073 |
| Molweight | 629.073 |
| MonoisotopicMass | 625.848769 |
| CLogP | 6.4834 |
| CLogS | -7.787 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 360.5 |
| Relative PSA | 0.19154 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 0.83891 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.625 |
| 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 | 3 |
| StereoCon |
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1 - [3-[(Z)-[[2-(2,4,6-tribromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate | 2 - [3-[(Z)-[[2-(2,4,6-tribromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] 3-fluorobenzoate
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