SMILES:
CC(=O)c1nc2ccc(C)cc2s1Molecular Processing
Molecular formula
C10H9NOS
Molecular weight
191.25
Exact mass
191.0405
XLogP
2.81
TPSA
29.96
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
54.36
Supplementary Information
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