SMILES:
Cc1c(C)c(=O)[nH][nH]c1=OMolecular Processing
Molecular formula
C6H8N2O2
Molecular weight
140.14
Exact mass
140.0586
XLogP
-0.32
TPSA
65.72
H-bond donors
2
H-bond acceptors
2
Rotatable bonds
0
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
37.16
Supplementary Information
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