SMILES:
COc1cc(OC)c2c(c1)OCC(CN)O2Molecular Processing
Molecular formula
C11H15NO4
Molecular weight
225.24
Exact mass
225.1001
XLogP
0.8
TPSA
62.94
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
3
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
58.51
Supplementary Information
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