SMILES:
COC(=O)CSc1ccccn1Molecular Processing
Molecular formula
C8H9NO2S
Molecular weight
183.23
Exact mass
183.0354
XLogP
1.35
TPSA
39.19
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
12
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
0.25
Molar refractivity
46.98
Supplementary Information
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