이름: 6-Methylpyridine-2-carbonitrile
SMILES:
Cc1cccc(C#N)n1Molecular Processing
Molecular formula
C7H6N2
Molecular weight
118.14
Exact mass
118.0531
XLogP
1.26
TPSA
36.68
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
0
Heavy atoms
9
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
33.69
Supplementary Information
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