[4-[(Z)-[[2-(2,4,6-tribromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
Formula:C22H15N2O4Br3
Mutagenic:low
Tumorigenic:none
Reproductive Effective:high
[4-[(Z)-[[2-(2,4,6-tribromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate is not a drug-like molecule.
| MolName | [4-[(Z)-[[2-(2,4,6-tribromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate |
| MolecularFormula | C22H15N2O4Br3 |
| Smiles | O=C(COc(c(Br)cc(Br)c1)c1Br)N/N=C\c(cc1)ccc1OC(c1ccccc1)=O |
| InChI | InChI=1S/C22H15Br3N2O4/c23-16-10-18(24)21(19(25)11-16)30-13-20(28)27-26-12-14-6-8-17(9-7-14)31-22(29)15-4-2-1-3-5-15/h1-12H,13H2,(H,27,28) |
| InChIK | KGQABTBKQFKAHU-UHFFFAOYSA-N |
| TotalMolweight | 611.083 |
| Molweight | 611.083 |
| MonoisotopicMass | 607.858191 |
| CLogP | 6.3826 |
| CLogS | -7.473 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 354.15 |
| Relative PSA | 0.19497 |
| PolarSurfaceArea | 76.99 |
| Druglikeness | 2.1789 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| 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 | 7 |
| StereoCon |
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1 - [4-[(Z)-[[2-(2,4,6-tribromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate | 2 - [4-[(Z)-[[2-(2,4,6-tribromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] benzoate
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