SMILES:
COc1ccc2c(c1)OC(CN)CO2Molecular Processing
Molecular formula
C10H13NO3
Molecular weight
195.22
Exact mass
195.0895
XLogP
0.79
TPSA
53.71
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
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
51.96
Supplementary Information
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