名称: 2,3-dichloro-5-(3-methoxyphenyl)isonicotinonitrile
SMILES:
COc1cccc(-c2cnc(Cl)c(Cl)c2C#N)c1Molecular Processing
Molecular formula
C13H8Cl2N2O
Molecular weight
279.13
Exact mass
278.0014
XLogP
3.94
TPSA
45.91
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
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
0.077
Molar refractivity
70.96
Supplementary Information
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