SMILES:
COc1cccc(-c2sc(C)nc2C(=O)O)c1Molecular Processing
Molecular formula
C12H11NO3S
Molecular weight
249.29
Exact mass
249.046
XLogP
2.83
TPSA
59.42
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
17
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
65.8
Supplementary Information
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