SMILES:
COc1ccc(C(N)=O)cc1C(=O)OMolecular Processing
Molecular formula
C9H9NO4
Molecular weight
195.17
Exact mass
195.0532
XLogP
0.49
TPSA
89.62
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
14
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
48.47
Supplementary Information
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