3-phenyl-4-[(E)-2-phenylethenyl]furo[3,2-b]pyridin-2-one
Formula:C21H15NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-phenyl-4-[(E)-2-phenylethenyl]furo[3,2-b]pyridin-2-one is a drug-like molecule.
| MolName | 3-phenyl-4-[(E)-2-phenylethenyl]furo[3,2-b]pyridin-2-one |
| MolecularFormula | C21H15NO2 |
| Smiles | O=C1OC2=CC=CN(/C=C/c3ccccc3)C2=C1c1ccccc1 |
| InChI | InChI=1S/C21H15NO2/c23-21-19(17-10-5-2-6-11-17)20-18(24-21)12-7-14-22(20)15-13-16-8-3-1-4-9-16/h1-15H |
| InChIK | ZLUFSBIBDWVIMV-UHFFFAOYSA-N |
| TotalMolweight | 313.355 |
| Molweight | 313.355 |
| MonoisotopicMass | 313.110279 |
| CLogP | 2.8376 |
| CLogS | -4.375 |
| H Acceptors | 3 |
| TotalSurfaceArea | 244.7 |
| Relative PSA | 0.10866 |
| PolarSurfaceArea | 29.54 |
| Druglikeness | 1.6968 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.54167 |
| Fragments | 1 |
| Non HAtoms | 24 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 4 |
| Small Rings | 4 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 1 |
| Symmetricatoms | 4 |
| StereoCon |
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1 - 3-phenyl-4-[(E)-2-phenylethenyl]furo[3,2-b]pyridin-2-one | 2 - 3-phenyl-4-[(E)-2-phenylethenyl]furo[3,2-b]pyridin-2-one
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