| MolName | 2-(2-chlorophenoxy)-N-[(Z)-[5-(4-iodophenyl)furan-2-yl]methylideneamino]acetamide |
| MolecularFormula | C19H14N2O3ClI |
| Smiles | O=C(COc(cccc1)c1Cl)N/N=C\c1ccc(-c(cc2)ccc2I)o1 |
| InChI | InChI=1S/C19H14ClIN2O3/c20-16-3-1-2-4-18(16)25-12-19(24)23-22-11-15-9-10-17(26-15)13-5-7-14(21)8-6-13/h1-11H,12H2,(H,23,24) |
| InChIK | TYQZEJFBSMDALE-UHFFFAOYSA-N |
| TotalMolweight | 480.684 |
| Molweight | 480.684 |
| MonoisotopicMass | 479.973768 |
| CLogP | 4.7585 |
| CLogS | -6.713 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 301.9 |
| Relative PSA | 0.19914 |
| PolarSurfaceArea | 63.83 |
| Druglikeness | 6.8187 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | low |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Sp3Atoms | 2 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 2-(2-chlorophenoxy)-N-[(Z)-[5-(4-iodophenyl)furan-2-yl]methylideneamino]acetamide | 2 - 2-(2-chlorophenoxy)-N-[(Z)-[5-(4-iodophenyl)furan-2-yl]methylideneamino]acetamide