이름: 3-(4,4-dimethyl-2-oxo-1,2,3,4,-tetrahydroquinolin-6-yl)benzonitrile
SMILES:
CC1(C)CC(=O)Nc2ccc(-c3cccc(C#N)c3)cc21Molecular Processing
Molecular formula
C18H16N2O
Molecular weight
276.34
Exact mass
276.1263
XLogP
3.85
TPSA
52.89
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.222
Molar refractivity
82.87
Supplementary Information
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