[4-[(Z)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]-2-iodophenyl] furan-2-carboxylate
Formula:C21H14N3O5I
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
[4-[(Z)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]-2-iodophenyl] furan-2-carboxylate is not a drug-like molecule.
| MolName | [4-[(Z)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]-2-iodophenyl] furan-2-carboxylate |
| MolecularFormula | C21H14N3O5I |
| Smiles | N#Cc(cccc1)c1OCC(N/N=C\c(cc1)cc(I)c1OC(c1ccco1)=O)=O |
| InChI | InChI=1S/C21H14IN3O5/c22-16-10-14(7-8-18(16)30-21(27)19-6-3-9-28-19)12-24-25-20(26)13-29-17-5-2-1-4-15(17)11-23/h1-10,12H,13H2,(H,25,26) |
| InChIK | FGIRDQFBHLWRCW-UHFFFAOYSA-N |
| TotalMolweight | 515.258 |
| Molweight | 515.258 |
| MonoisotopicMass | 514.99782 |
| CLogP | 3.6684 |
| CLogS | -6.442 |
| H Acceptors | 8 |
| H Donors | 1 |
| TotalSurfaceArea | 335.94 |
| Relative PSA | 0.28791 |
| PolarSurfaceArea | 113.92 |
| Druglikeness | 0.40327 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.63333 |
| Fragments | 1 |
| Non HAtoms | 30 |
| 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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1 - [4-[(Z)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]-2-iodophenyl] furan-2-carboxylate | 2 - [4-[(Z)-[[2-(2-cyanophenoxy)acetyl]hydrazinylidene]methyl]-2-iodophenyl] furan-2-carboxylate
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