SMILES:
COC(=O)Cc1c(C(=O)OC)[nH]c2ccccc12Molecular Processing
Molecular formula
C13H13NO4
Molecular weight
247.25
Exact mass
247.0845
XLogP
1.67
TPSA
68.39
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
65.36
Supplementary Information
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