이름: tert-butyl 2-(1-benzothiophen-4-yl)-2-cyanoacetate
SMILES:
CC(C)(C)OC(=O)C(C#N)c1cccc2sccc12Molecular Processing
Molecular formula
C15H15NO2S
Molecular weight
273.36
Exact mass
273.0823
XLogP
3.85
TPSA
50.09
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
76.02
Supplementary Information
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