SMILES:
CC12CCC3C(CCC4CC(OCCO)CCC43C)C1CCC2=OMolecular Processing
Molecular formula
C21H34O3
Molecular weight
334.5
Exact mass
334.2508
XLogP
3.98
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
24
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
7
Undefined stereo
7
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.952
Molar refractivity
93.56
Supplementary Information
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