名称: 2-iodo-5-(4-methoxyphenyl)pyrazine
SMILES:
COc1ccc(-c2cnc(I)cn2)cc1Molecular Processing
Molecular formula
C11H9IN2O
Molecular weight
312.11
Exact mass
311.976
XLogP
2.76
TPSA
35.01
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.091
Molar refractivity
66.74
Supplementary Information
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