| MolName | 2-(2-bromo-4-chlorophenoxy)-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide |
| MolecularFormula | C15H12N2O3BrCl |
| Smiles | O=C(COc(ccc(Cl)c1)c1Br)N/N=C\C=C\c1ccco1 |
| InChI | InChI=1S/C15H12BrClN2O3/c16-13-9-11(17)5-6-14(13)22-10-15(20)19-18-7-1-3-12-4-2-8-21-12/h1-9H,10H2,(H,19,20) |
| InChIK | AXNDSWJMZWTJEY-UHFFFAOYSA-N |
| TotalMolweight | 383.628 |
| Molweight | 383.628 |
| MonoisotopicMass | 381.971981 |
| CLogP | 3.3147 |
| CLogS | -5.045 |
| H Acceptors | 5 |
| H Donors | 1 |
| TotalSurfaceArea | 260.99 |
| Relative PSA | 0.23035 |
| PolarSurfaceArea | 63.83 |
| Druglikeness | 2.4485 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | high |
| Irritant | none |
| Nasty Functions | acyl-hydrazone; imine/hydrazone of aldehyde |
| Shape Index | 0.72727 |
| Fragments | 1 |
| Non HAtoms | 22 |
| NonCHAtoms | 7 |
| Electronegative Atoms | 7 |
| Rotatable Bond | 6 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 2 |
| StereoCon |
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1 - 2-(2-bromo-4-chlorophenoxy)-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide | 2 - 2-(2-bromo-4-chlorophenoxy)-N-[(Z)-[(E)-3-(furan-2-yl)prop-2-enylidene]amino]acetamide