SMILES:
CCOC(=O)c1cc[nH]n1Molecular Processing
Molecular formula
C6H8N2O2
Molecular weight
140.14
Exact mass
140.0586
XLogP
0.59
TPSA
54.98
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
34.54
Supplementary Information
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