SMILES:
CC1C(=O)CCC2(CO)C1=CC(C)C1C2CCC2(C)C(O)CCC12Molecular Processing
Molecular formula
C21H32O3
Molecular weight
332.48
Exact mass
332.2351
XLogP
3.34
TPSA
57.53
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
24
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
8
Undefined stereo
8
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.857
Molar refractivity
93.22
Supplementary Information
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