SMILES:
CSSCC(=O)NCOc1cccc(CC(C)=O)c1Molecular Processing
Molecular formula
C13H17NO3S2
Molecular weight
299.42
Exact mass
299.065
XLogP
2.28
TPSA
55.4
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
8
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.385
Molar refractivity
80.44
Supplementary Information
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