이름: 2-(6-m-methoxyphenyl-3-oxohexyl)-2-methylcyclopentane-1,3-dione
SMILES:
COc1cccc(CCCC(=O)CCC2(C)C(=O)CCC2=O)c1Molecular Processing
Molecular formula
C19H24O4
Molecular weight
316.4
Exact mass
316.1675
XLogP
3.31
TPSA
60.44
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
8
Heavy atoms
23
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.526
Molar refractivity
87.53
Supplementary Information
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