이름: 4-(6-methoxy-2,3,4,5-tetrahydropyridin-4-yl)benzonitrile
SMILES:
COC1=NCCC(c2ccc(C#N)cc2)C1Molecular Processing
Molecular formula
C13H14N2O
Molecular weight
214.27
Exact mass
214.1106
XLogP
2.48
TPSA
45.38
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
62.44
Supplementary Information
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