SMILES:
CCC1(OC(=O)C(C)COC(=O)C2CC3C=CC2C3)CC2CCC1C2Molecular Processing
Molecular formula
C21H30O4
Molecular weight
346.47
Exact mass
346.2144
XLogP
3.89
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
6
Heavy atoms
25
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
7
Undefined stereo
7
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.81
Molar refractivity
93.53
Supplementary Information
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