3-phenyl-1,3-dihydro-2-benzofuran-1-carboxamide
Formula:C15H13NO2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
3-phenyl-1,3-dihydro-2-benzofuran-1-carboxamide is a drug-like molecule.
| MolName | 3-phenyl-1,3-dihydro-2-benzofuran-1-carboxamide |
| MolecularFormula | C15H13NO2 |
| Smiles | NC(C(c1c2cccc1)OC2c1ccccc1)=O |
| InChI | InChI=1S/C15H13NO2/c16-15(17)14-12-9-5-4-8-11(12)13(18-14)10-6-2-1-3-7-10/h1-9,13-14H,(H2,16,17) |
| InChIK | CIBHVLZRIHVDRI-UHFFFAOYSA-N |
| TotalMolweight | 239.273 |
| Molweight | 239.273 |
| MonoisotopicMass | 239.094629 |
| CLogP | 1.8318 |
| CLogS | -2.747 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 180.79 |
| Relative PSA | 0.2119 |
| PolarSurfaceArea | 52.32 |
| Druglikeness | 0.98854 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.5 |
| Fragments | 1 |
| Non HAtoms | 18 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| StereoCenters | 2 |
| Rotatable Bond | 2 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 12 |
| Sp3Atoms | 3 |
| Symmetricatoms | 2 |
| Amides | 1 |
| StereoCon | unknown chirality |
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