SMILES:
CCC1CC(=O)C=C2CCC3C4CCC(=O)C4(C)CCC3C21CMolecular Processing
Molecular formula
C21H30O2
Molecular weight
314.47
Exact mass
314.2246
XLogP
4.72
TPSA
34.14
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
23
Rings
4
Aromatic rings
0
Saturated rings
3
Aliphatic rings
4
Stereo centers
6
Undefined stereo
6
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.81
Molar refractivity
90.88
Supplementary Information
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