이름: 3-(2,4-Dimethoxy-pyrimidin-5-yl)-pyridine-2-carbonitrile
SMILES:
COc1ncc(-c2cccnc2C#N)c(OC)n1Molecular Processing
Molecular formula
C12H10N4O2
Molecular weight
242.24
Exact mass
242.0804
XLogP
1.43
TPSA
80.92
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
63.08
Supplementary Information
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