SMILES:
CC1OC(=O)C2=CC3CCCCC3C(O)C21Molecular Processing
Molecular formula
C13H18O3
Molecular weight
222.28
Exact mass
222.1256
XLogP
1.66
TPSA
46.53
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
0
Heavy atoms
16
Rings
3
Aromatic rings
0
Saturated rings
2
Aliphatic rings
3
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.769
Molar refractivity
58.58
Supplementary Information
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