SMILES:
COc1c(OCCOC2CCCCO2)cc(C(C)=O)cc1C(C)(C)CMolecular Processing
Molecular formula
C20H30O5
Molecular weight
350.46
Exact mass
350.2093
XLogP
4.12
TPSA
53.99
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
7
Heavy atoms
25
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.65
Molar refractivity
96.74
Supplementary Information
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