5-bromo-N-[4-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]phenyl]furan-2-carboxamide
Formula:C20H13NO3Br2
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
5-bromo-N-[4-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]phenyl]furan-2-carboxamide is not a drug-like molecule.
| MolName | 5-bromo-N-[4-[(E)-3-(4-bromophenyl)-3-oxoprop-1-enyl]phenyl]furan-2-carboxamide |
| MolecularFormula | C20H13NO3Br2 |
| Smiles | O=C(/C=C/c(cc1)ccc1NC(c(o1)ccc1Br)=O)c(cc1)ccc1Br |
| InChI | InChI=1S/C20H13Br2NO3/c21-15-6-4-14(5-7-15)17(24)10-3-13-1-8-16(9-2-13)23-20(25)18-11-12-19(22)26-18/h1-12H,(H,23,25) |
| InChIK | GDJRPTDGGDBPNO-UHFFFAOYSA-N |
| TotalMolweight | 475.135 |
| Molweight | 475.135 |
| MonoisotopicMass | 472.926216 |
| CLogP | 5.1878 |
| CLogS | -6.465 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 293.19 |
| Relative PSA | 0.17617 |
| PolarSurfaceArea | 59.31 |
| Druglikeness | 0.26977 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.69231 |
| Fragments | 1 |
| Non HAtoms | 26 |
| NonCHAtoms | 6 |
| Electronegative Atoms | 6 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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