(E)-1-(1-benzofuran-2-yl)-3-(2-hydroxyphenyl)prop-2-en-1-one
Formula:C17H12O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(1-benzofuran-2-yl)-3-(2-hydroxyphenyl)prop-2-en-1-one is a drug-like molecule.
| MolName | (E)-1-(1-benzofuran-2-yl)-3-(2-hydroxyphenyl)prop-2-en-1-one |
| MolecularFormula | C17H12O3 |
| Smiles | Oc1c(/C=C/C(c2cc(cccc3)c3o2)=O)cccc1 |
| InChI | InChI=1S/C17H12O3/c18-14-7-3-1-5-12(14)9-10-15(19)17-11-13-6-2-4-8-16(13)20-17/h1-11,18H |
| InChIK | DEGGMFLARURDBZ-UHFFFAOYSA-N |
| TotalMolweight | 264.279 |
| Molweight | 264.279 |
| MonoisotopicMass | 264.078645 |
| CLogP | 3.4637 |
| CLogS | -4.727 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 207.91 |
| Relative PSA | 0.19359 |
| PolarSurfaceArea | 50.44 |
| Druglikeness | 0.89337 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.6 |
| Fragments | 1 |
| Non HAtoms | 20 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Sp3Atoms | 1 |
| StereoCon |
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