2-(4-bromo-2-cyanophenoxy)-N-[(Z)-[5-(4-iodophenyl)furan-2-yl]methylideneamino]acetamide
Formula:C20H13N3O3BrI
Mutagenic:high
Tumorigenic:high
Reproductive Effective:low
2-(4-bromo-2-cyanophenoxy)-N-[(Z)-[5-(4-iodophenyl)furan-2-yl]methylideneamino]acetamide is not a drug-like molecule.
| MolName | 2-(4-bromo-2-cyanophenoxy)-N-[(Z)-[5-(4-iodophenyl)furan-2-yl]methylideneamino]acetamide |
| MolecularFormula | C20H13N3O3BrI |
| Smiles | N#Cc(cc(cc1)Br)c1OCC(N/N=C\c1ccc(-c(cc2)ccc2I)o1)=O |
| InChI | InChI=1S/C20H13BrIN3O3/c21-15-3-7-18(14(9-15)10-23)27-12-20(26)25-24-11-17-6-8-19(28-17)13-1-4-16(22)5-2-13/h1-9,11H,12H2,(H,25,26) |
| InChIK | MQJWNNZKIKHZIW-UHFFFAOYSA-N |
| TotalMolweight | 550.145 |
| Molweight | 550.145 |
| MonoisotopicMass | 548.918501 |
| CLogP | 4.7133 |
| CLogS | -7.584 |
| H Acceptors | 6 |
| H Donors | 1 |
| TotalSurfaceArea | 326.82 |
| Relative PSA | 0.22545 |
| PolarSurfaceArea | 87.62 |
| Druglikeness | 0.71578 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | low |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.67857 |
| Fragments | 1 |
| Non HAtoms | 28 |
| NonCHAtoms | 8 |
| Electronegative Atoms | 8 |
| 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-(4-bromo-2-cyanophenoxy)-N-[(Z)-[5-(4-iodophenyl)furan-2-yl]methylideneamino]acetamide | 2 - 2-(4-bromo-2-cyanophenoxy)-N-[(Z)-[5-(4-iodophenyl)furan-2-yl]methylideneamino]acetamide
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