SMILES:
O=[N+]([O-])CC1(O)CCSCC1Molecular Processing
Molecular formula
C6H11NO3S
Molecular weight
177.22
Exact mass
177.046
XLogP
0.52
TPSA
63.37
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
11
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
1
Molar refractivity
43.37
Supplementary Information
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