SMILES:
CC(=O)COc1ccc(CC2SC(=O)NC2=O)cc1Molecular Processing
Molecular formula
C13H13NO4S
Molecular weight
279.32
Exact mass
279.0565
XLogP
1.55
TPSA
72.47
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
5
Heavy atoms
19
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.308
Molar refractivity
71.24
Supplementary Information
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