N-[4-[(E)-3-(4-bromophenyl)prop-2-enoyl]phenyl]furan-2-carboxamide
Formula:C20H14NO3Br
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
N-[4-[(E)-3-(4-bromophenyl)prop-2-enoyl]phenyl]furan-2-carboxamide is a drug-like molecule.
| MolName | N-[4-[(E)-3-(4-bromophenyl)prop-2-enoyl]phenyl]furan-2-carboxamide |
| MolecularFormula | C20H14NO3Br |
| Smiles | O=C(/C=C/c(cc1)ccc1Br)c(cc1)ccc1NC(c1ccco1)=O |
| InChI | InChI=1S/C20H14BrNO3/c21-16-8-3-14(4-9-16)5-12-18(23)15-6-10-17(11-7-15)22-20(24)19-2-1-13-25-19/h1-13H,(H,22,24) |
| InChIK | QKIHVIAMMLKKLA-UHFFFAOYSA-N |
| TotalMolweight | 396.239 |
| Molweight | 396.239 |
| MonoisotopicMass | 395.015705 |
| CLogP | 4.3652 |
| CLogS | -5.868 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 274.56 |
| Relative PSA | 0.18812 |
| PolarSurfaceArea | 59.31 |
| Druglikeness | 0.54468 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.68 |
| Fragments | 1 |
| Non HAtoms | 25 |
| NonCHAtoms | 5 |
| Electronegative Atoms | 5 |
| Rotatable Bond | 5 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 17 |
| Symmetricatoms | 4 |
| Amides | 1 |
| StereoCon |
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