SMILES:
Cc1cn(CC(=O)O)c(=O)[nH]c1=OMolecular Processing
Molecular formula
C7H8N2O4
Molecular weight
184.15
Exact mass
184.0484
XLogP
-1.07
TPSA
92.16
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.286
Molar refractivity
43.7
Supplementary Information
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