(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylprop-2-en-1-one
Molecular Formula : C17H14O2 | Mutagenic : none | Tumorigenic : none | Reproductive Effective : none |(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylprop-2-en-1-one is a drug-like molecule.
MolName : (E)-3-(2,3-dihydro-1-benzofuran-5-yl)-1-phenylprop-2-en-1-one |
MolecularFormula : C17H14O2 |
Smiles : O=C(/C=C/c(cc1)cc2c1OCC2)c1ccccc1 |
InChI : InChI=1S/C17H14O2/c18-16(14-4-2-1-3-5-14)8-6-13-7-9-17-15(12-13)10-11-19-17/h1-9,12H,10-11H2 |
InChIK : WBRIJHYFOFAUIH-UHFFFAOYSA-N |
TotalMolweight : 250.296 |
Molweight : 250.296 |
MonoisotopicMass : 250.09938 |
CLogP : 3.5296 |
CLogS : -4.207 |
H Acceptors : 2 |
TotalSurfaceArea : 201.29 |
Relative PSA : 0.11446 |
PolarSurfaceArea : 26.3 |
Druglikeness : -0.39359 |
Mutagenic : none |
Tumorigenic : none |
Reproductive Effective : none |
Irritant : none |
Nasty Functions : |
Shape Index : 0.63158 |
Fragments : 1 |
Non HAtoms : 19 |
NonCHAtoms : 2 |
Electronegative Atoms : 2 |
Rotatable Bond : 3 |
Rings Closures : 3 |
Small Rings : 3 |
Aromatic Rings : 2 |
Aromatic Atoms : 12 |
Sp3Atoms : 3 |
Symmetricatoms : 2 |
StereoCon : |