이름: 3-methoxypyrazine-2-carboxaldehyde
SMILES:
COc1nccnc1C=OMolecular Processing
Molecular formula
C6H6N2O2
Molecular weight
138.13
Exact mass
138.0429
XLogP
0.3
TPSA
52.08
H-bond donors
0
H-bond acceptors
4
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
0.167
Molar refractivity
33.97
Supplementary Information
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