| MolName | N-[(Z)-3-amino-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide |
| MolecularFormula | C14H11N2O3Br |
| Smiles | NC(/C(/NC(c1ccco1)=O)=C/c(cc1)ccc1Br)=O |
| InChI | InChI=1S/C14H11BrN2O3/c15-10-5-3-9(4-6-10)8-11(13(16)18)17-14(19)12-2-1-7-20-12/h1-8H,(H2,16,18)(H,17,19) |
| InChIK | HIAIOAKCJBAMDG-UHFFFAOYSA-N |
| TotalMolweight | 335.156 |
| Molweight | 335.156 |
| MonoisotopicMass | 333.995304 |
| CLogP | 2.2775 |
| CLogS | -3.966 |
| H Acceptors | 5 |
| H Donors | 2 |
| TotalSurfaceArea | 221.53 |
| Relative PSA | 0.30208 |
| PolarSurfaceArea | 85.33 |
| Druglikeness | 1.2791 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 4 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Symmetricatoms | 2 |
| Amides | 2 |
| StereoCon |
Click to Load Molecule:
1 - N-[(Z)-3-amino-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide | 2 - N-[(Z)-3-amino-1-(4-bromophenyl)-3-oxoprop-1-en-2-yl]furan-2-carboxamide