2-[(E)-3-(furan-2-yl)prop-2-enoyl]-3-hydroxyinden-1-one
Formula:C16H10O4
Mutagenic:high
Tumorigenic:none
Reproductive Effective:none
2-[(E)-3-(furan-2-yl)prop-2-enoyl]-3-hydroxyinden-1-one is a drug-like molecule.
| MolName | 2-[(E)-3-(furan-2-yl)prop-2-enoyl]-3-hydroxyinden-1-one |
| MolecularFormula | C16H10O4 |
| Smiles | OC(c1c2cccc1)=C(C(/C=C/c1ccco1)=O)C2=O |
| InChI | InChI=1S/C16H10O4/c17-13(8-7-10-4-3-9-20-10)14-15(18)11-5-1-2-6-12(11)16(14)19/h1-9,18H |
| InChIK | WMYFTMKEVINMFW-UHFFFAOYSA-N |
| TotalMolweight | 266.251 |
| Molweight | 266.251 |
| MonoisotopicMass | 266.05791 |
| CLogP | 2.1809 |
| CLogS | -3.555 |
| H Acceptors | 4 |
| H Donors | 1 |
| TotalSurfaceArea | 200.48 |
| Relative PSA | 0.26581 |
| PolarSurfaceArea | 67.51 |
| Druglikeness | 1.3212 |
| Mutagenic | high |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | twice activated DB |
| Shape Index | 0.55 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 2 |
| Aromatic Atoms | 11 |
| Sp3Atoms | 1 |
| StereoCon |
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