(E)-1-(1-benzofuran-2-yl)-3-(2,6-dichlorophenyl)prop-2-en-1-one
Formula:C17H10O2Cl2
Mutagenic:none
Tumorigenic:none
Reproductive Effective:none
(E)-1-(1-benzofuran-2-yl)-3-(2,6-dichlorophenyl)prop-2-en-1-one is not a drug-like molecule.
| MolName | (E)-1-(1-benzofuran-2-yl)-3-(2,6-dichlorophenyl)prop-2-en-1-one |
| MolecularFormula | C17H10O2Cl2 |
| Smiles | O=C(/C=C/c(c(Cl)ccc1)c1Cl)c1cc(cccc2)c2o1 |
| InChI | InChI=1S/C17H10Cl2O2/c18-13-5-3-6-14(19)12(13)8-9-15(20)17-10-11-4-1-2-7-16(11)21-17/h1-10H |
| InChIK | VUDLXJMJPLSTHT-UHFFFAOYSA-N |
| TotalMolweight | 317.17 |
| Molweight | 317.17 |
| MonoisotopicMass | 316.005784 |
| CLogP | 5.0214 |
| CLogS | -6.495 |
| H Acceptors | 2 |
| TotalSurfaceArea | 232.4 |
| Relative PSA | 0.11682 |
| PolarSurfaceArea | 30.21 |
| Druglikeness | 0.94341 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Nasty Functions | |
| Shape Index | 0.57143 |
| Fragments | 1 |
| Non HAtoms | 21 |
| NonCHAtoms | 4 |
| Electronegative Atoms | 4 |
| Rotatable Bond | 3 |
| Rings Closures | 3 |
| Small Rings | 3 |
| Aromatic Rings | 3 |
| Aromatic Atoms | 15 |
| Symmetricatoms | 3 |
| StereoCon |
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