Nombre: 4-chloro-2-(2,5-dimethoxypyridin-4-yl)benzonitrile
SMILES:
COc1cc(-c2cc(Cl)ccc2C#N)c(OC)cn1Molecular Processing
Molecular formula
C14H11ClN2O2
Molecular weight
274.71
Exact mass
274.0509
XLogP
3.29
TPSA
55.14
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.143
Molar refractivity
72.5
Supplementary Information
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