SMILES:
CC(=O)C1=CCC2C3CCC4CC(O)CCC4(C)C3C(=O)CC12CMolecular Processing
Molecular formula
C21H30O3
Molecular weight
330.47
Exact mass
330.2195
XLogP
3.69
TPSA
54.37
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
24
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
7
Undefined stereo
7
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.81
Molar refractivity
92.27
Supplementary Information
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