SMILES:
CCCCOc1cc(O)c(C#N)s1Molecular Processing
Molecular formula
C9H11NO2S
Molecular weight
197.26
Exact mass
197.051
XLogP
2.5
TPSA
53.25
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
51.1
Supplementary Information
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