Nom: methyl 6-cyanobenzo[b]thiophene-2-carboxylate
SMILES:
COC(=O)c1cc2ccc(C#N)cc2s1Molecular Processing
Molecular formula
C11H7NO2S
Molecular weight
217.25
Exact mass
217.0197
XLogP
2.56
TPSA
50.09
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
1
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.091
Molar refractivity
57.88
Supplementary Information
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