Название: acetylpyrazine
SMILES:
CC(=O)c1cnccn1Molecular Processing
Molecular formula
C6H6N2O
Molecular weight
122.13
Exact mass
122.048
XLogP
0.68
TPSA
42.85
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
9
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
32.04
Supplementary Information
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