[2,4-dibromo-6-[(Z)-[[2-(2,4,6-tribromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
Formula:C20H11N2O5Br5
Mutagenic:low
Tumorigenic:none
Reproductive Effective:high
[2,4-dibromo-6-[(Z)-[[2-(2,4,6-tribromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate is not a drug-like molecule.
| MolName | [2,4-dibromo-6-[(Z)-[[2-(2,4,6-tribromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate |
| MolecularFormula | C20H11N2O5Br5 |
| Smiles | O=C(COc(c(Br)cc(Br)c1)c1Br)N/N=C\c(cc(cc1Br)Br)c1OC(c1ccco1)=O |
| InChI | InChI=1S/C20H11Br5N2O5/c21-11-4-10(18(13(23)5-11)32-20(29)16-2-1-3-30-16)8-26-27-17(28)9-31-19-14(24)6-12(22)7-15(19)25/h1-8H,9H2,(H,27,28) |
| InChIK | OICQCAKOBSKBGV-UHFFFAOYSA-N |
| TotalMolweight | 758.836 |
| Molweight | 758.836 |
| MonoisotopicMass | 753.658478 |
| CLogP | 7.0217 |
| CLogS | -8.823 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 381.1 |
| Relative PSA | 0.21821 |
| PolarSurfaceArea | 90.13 |
| Druglikeness | 2.4585 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde; polyhalo aromatic ring |
| Shape Index | 0.5625 |
| Fragments | 1 |
| Non HAtoms | 32 |
| NonCHAtoms | 12 |
| Electronegative Atoms | 12 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| Symmetricatoms | 3 |
| StereoCon |
Click to Load Molecule:
1 - [2,4-dibromo-6-[(Z)-[[2-(2,4,6-tribromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate | 2 - [2,4-dibromo-6-[(Z)-[[2-(2,4,6-tribromophenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
Spacefill |
Wire |
Ball & Stick |
Iso-vdw |
Opaque |
Dot Surface |
Mep |
Translucent |
Spin |
Label On |
Off