Name: 3-chloro-5-(3-methoxyphenyl)isonicotinonitrile
SMILES:
COc1cccc(-c2cncc(Cl)c2C#N)c1Molecular Processing
Molecular formula
C13H9ClN2O
Molecular weight
244.68
Exact mass
244.0403
XLogP
3.28
TPSA
45.91
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
17
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
0.077
Molar refractivity
65.95
Supplementary Information
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