SMILES:
OCC12CC3(O)CC(O)(CC(O)(C3)C1)C2Molecular Processing
Molecular formula
C11H18O4
Molecular weight
214.26
Exact mass
214.1205
XLogP
-0.46
TPSA
80.92
H-bond donors
4
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
15
Rings
4
Aromatic rings
0
Saturated rings
4
Aliphatic rings
4
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
1
Molar refractivity
52.07
Supplementary Information
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