4-[(E)-2-phenylethenyl]furo[3,2-b]pyridin-2-one
Formula:C15H11NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
4-[(E)-2-phenylethenyl]furo[3,2-b]pyridin-2-one is a drug-like molecule.
| MolName | 4-[(E)-2-phenylethenyl]furo[3,2-b]pyridin-2-one |
| MolecularFormula | C15H11NO2 |
| Smiles | O=C1OC2=CC=CN(/C=C/c3ccccc3)C2=C1 |
| InChI | InChI=1S/C15H11NO2/c17-15-11-13-14(18-15)7-4-9-16(13)10-8-12-5-2-1-3-6-12/h1-11H |
| InChIK | MKZNGXCNPRTVSP-UHFFFAOYSA-N |
| TotalMolweight | 237.257 |
| Molweight | 237.257 |
| MonoisotopicMass | 237.078979 |
| CLogP | 1.5824 |
| CLogS | -3.418 |
| H Acceptors | 3 |
| TotalSurfaceArea | 186.73 |
| Relative PSA | 0.1424 |
| PolarSurfaceArea | 29.54 |
| Druglikeness | -1.1475 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.61111 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 1 |
| Symmetricatoms | 2 |
| StereoCon |
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1 - 4-[(E)-2-phenylethenyl]furo[3,2-b]pyridin-2-one | 2 - 4-[(E)-2-phenylethenyl]furo[3,2-b]pyridin-2-one
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