[4-bromo-2-[(Z)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate
Formula:C20H14N2O5BrCl
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
[4-bromo-2-[(Z)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate is a drug-like molecule.
| MolName | [4-bromo-2-[(Z)-[[2-(2-chlorophenoxy)acetyl]hydrazinylidene]methyl]phenyl] furan-2-carboxylate |
| MolecularFormula | C20H14N2O5BrCl |
| Smiles | O=C(COc(cccc1)c1Cl)N/N=C\c(cc(cc1)Br)c1OC(c1ccco1)=O |
| InChI | InChI=1S/C20H14BrClN2O5/c21-14-7-8-16(29-20(26)18-6-3-9-27-18)13(10-14)11-23-24-19(25)12-28-17-5-2-1-4-15(17)22/h1-11H,12H2,(H,24,25) |
| InChIK | UDFIISSQFXTTEY-UHFFFAOYSA-N |
| TotalMolweight | 477.697 |
| Molweight | 477.697 |
| MonoisotopicMass | 475.977461 |
| CLogP | 4.7269 |
| CLogS | -6.223 |
| H Acceptors | 7 |
| H Donors | 1 |
| TotalSurfaceArea | 322 |
| Relative PSA | 0.25826 |
| PolarSurfaceArea | 90.13 |
| Druglikeness | 2.5244 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.58621 |
| Fragments | 1 |
| Non HAtoms | 29 |
| NonCHAtoms | 9 |
| Electronegative Atoms | 9 |
| Rotatable Bond | 8 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 3 |
| StereoCon |
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