5-(phenoxymethyl)-N-[4-[(E)-2-phenylethenyl]phenyl]furan-2-carboxamide
Formula:C26H21NO3
Mutagenic:high
Tumorigenic:high
Reproductive Effective:none
5-(phenoxymethyl)-N-[4-[(E)-2-phenylethenyl]phenyl]furan-2-carboxamide is not a drug-like molecule.
| MolName | 5-(phenoxymethyl)-N-[4-[(E)-2-phenylethenyl]phenyl]furan-2-carboxamide |
| MolecularFormula | C26H21NO3 |
| Smiles | O=C(c1ccc(COc2ccccc2)o1)Nc1ccc(/C=C/c2ccccc2)cc1 |
| InChI | InChI=1S/C26H21NO3/c28-26(25-18-17-24(30-25)19-29-23-9-5-2-6-10-23)27-22-15-13-21(14-16-22)12-11-20-7-3-1-4-8-20/h1-18H,19H2,(H,27,28) |
| InChIK | ATWIDARSTVEDEJ-UHFFFAOYSA-N |
| TotalMolweight | 395.457 |
| Molweight | 395.457 |
| MonoisotopicMass | 395.152144 |
| CLogP | 5.6049 |
| CLogS | -6.311 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 321.7 |
| Relative PSA | 0.1511 |
| PolarSurfaceArea | 51.47 |
| Druglikeness | 2.4751 |
| Mutagenic | high |
| Tumorigenic | high |
| Reproductive Effective | none |
| Irritant | high |
| Nasty Functions | |
| Shape Index | 0.7 |
| Fragments | 1 |
| Non HAtoms | 30 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 7 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 4 |
| Aromatic Atoms | 23 |
| Sp3Atoms | 2 |
| Symmetricatoms | 6 |
| Amides | 1 |
| StereoCon |
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