SMILES:
CC(=O)Oc1cc2c(cc1C=O)C1CCC3(C)C(O)CCC3C1CC2Molecular Processing
Molecular formula
C21H26O4
Molecular weight
342.44
Exact mass
342.1831
XLogP
3.64
TPSA
63.6
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
25
Rings
4
Aromatic rings
1
Saturated rings
2
Aliphatic rings
3
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.619
Molar refractivity
93.76
Supplementary Information
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