SMILES:
CCc1ccc(-c2sc(C)nc2C(=O)O)cc1Molecular Processing
Molecular formula
C13H13NO2S
Molecular weight
247.32
Exact mass
247.0667
XLogP
3.38
TPSA
50.19
H-bond donors
1
H-bond acceptors
3
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
4
Covalent units
1
Fraction Csp3
0.231
Molar refractivity
68.62
Supplementary Information
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