(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoic acid
Formula:C11H10O3
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoic acid is a drug-like molecule.
| MolName | (E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoic acid |
| MolecularFormula | C11H10O3 |
| Smiles | OC(/C=C/c(cc1)cc2c1OCC2)=O |
| InChI | InChI=1S/C11H10O3/c12-11(13)4-2-8-1-3-10-9(7-8)5-6-14-10/h1-4,7H,5-6H2,(H,12,13) |
| InChIK | KNKNRFWCOVWKHJ-UHFFFAOYSA-N |
| TotalMolweight | 190.197 |
| Molweight | 190.197 |
| MonoisotopicMass | 190.062995 |
| CLogP | 1.6997 |
| CLogS | -2.366 |
| H Acceptors | 3 |
| H Donors | 1 |
| TotalSurfaceArea | 147.88 |
| Relative PSA | 0.24439 |
| PolarSurfaceArea | 46.53 |
| Druglikeness | -0.22636 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.64286 |
| Fragments | 1 |
| Non HAtoms | 14 |
| NonCHAtoms | 3 |
| Electronegative Atoms | 3 |
| Rotatable Bond | 2 |
| Rings Closures | 2 |
| Small Rings | 2 |
| Aromatic Rings | 1 |
| Aromatic Atoms | 6 |
| Sp3Atoms | 4 |
| AcidicOxygens | 1 |
| StereoCon |
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1 - (E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoic acid | 2 - (E)-3-(2,3-dihydro-1-benzofuran-5-yl)prop-2-enoic acid
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