COc1ccc2c(C)cc(=O)n(CCC3(C#N)CCC(=O)CC3)c2c1
名称: 1-(2-(7-methoxy-4-methyl-2-oxoquinolin-1(2H)-yl)ethyl)-4-oxocyclohexanecarbonitrile
SMILES: COc1ccc2c(C)cc(=O)n(CCC3(C#N)CCC(=O)CC3)c2c1

Molecular Processing

Molecular formula
C20H22N2O3
Molecular weight
338.41
Exact mass
338.163
XLogP
3.36
TPSA
72.09
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
25
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.45
Molar refractivity
95.64

Supplementary Information

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