SMILES:
COc1cc(CO)cc2c1OCCO2Molecular Processing
Molecular formula
C10H12O4
Molecular weight
196.2
Exact mass
196.0736
XLogP
0.96
TPSA
47.92
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
14
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
49.91
Supplementary Information
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