Name: 1-(5-methoxy-3-methyl-1-benzofuran-2-yl)-5-(methylsulfanyl)pentan-1-one
SMILES:
COc1ccc2oc(C(=O)CCCCSC)c(C)c2c1Molecular Processing
Molecular formula
C16H20O3S
Molecular weight
292.4
Exact mass
292.1133
XLogP
4.47
TPSA
39.44
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
7
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.438
Molar refractivity
84.07
Supplementary Information
Details werden geladen…
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