SMILES:
CSc1ccc(C2N[C@@H](C(=O)O)C(C)(C)S2)cc1Molecular Processing
Molecular formula
C13H17NO2S2
Molecular weight
283.42
Exact mass
283.0701
XLogP
2.98
TPSA
49.33
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
77.19
Supplementary Information
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