SMILES:
COc1cc2c(c(OC(C)=O)c1)C1CCC3(C)C(=O)CCC3C1CC2Molecular Processing
Molecular formula
C21H26O4
Molecular weight
342.44
Exact mass
342.1831
XLogP
4.05
TPSA
52.6
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
25
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.619
Molar refractivity
93.93
Supplementary Information
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