2-[(E)-2-(furan-3-yl)ethenyl]-5-hydroxy-1-benzofuran-3-carbaldehyde
Formula:C15H10O4
Mutagenic:low
Tumorigenic:none
Reproductive Effective:none
2-[(E)-2-(furan-3-yl)ethenyl]-5-hydroxy-1-benzofuran-3-carbaldehyde is a drug-like molecule.
| MolName | 2-[(E)-2-(furan-3-yl)ethenyl]-5-hydroxy-1-benzofuran-3-carbaldehyde |
| MolecularFormula | C15H10O4 |
| Smiles | Oc(cc1)cc2c1oc(/C=C/c1cocc1)c2C=O |
| InChI | InChI=1S/C15H10O4/c16-8-13-12-7-11(17)2-4-14(12)19-15(13)3-1-10-5-6-18-9-10/h1-9,17H |
| InChIK | UKQCRAJIFBPGOD-UHFFFAOYSA-N |
| TotalMolweight | 254.24 |
| Molweight | 254.24 |
| MonoisotopicMass | 254.05791 |
| CLogP | 3.0945 |
| CLogS | -4.621 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 199.39 |
| Relative PSA | 0.27263 |
| PolarSurfaceArea | 63.58 |
| Druglikeness | -3.4464 |
| Mutagenic | low |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57895 |
| Fragments | 1 |
| Non HAtoms | 19 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 14 |
| Sp3Atoms | 1 |
| StereoCon |
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