SMILES:
NC(Cc1ccc(O)c(O)c1)C(=O)OMolecular Processing
Molecular formula
C9H11NO4
Molecular weight
197.19
Exact mass
197.0688
XLogP
0.05
TPSA
103.78
H-bond donors
4
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
49.09
Supplementary Information
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