CC1(c2ncc(COS(C)(=O)=O)s2)OCCO1
SMILES: CC1(c2ncc(COS(C)(=O)=O)s2)OCCO1

Molecular Processing

Molecular formula
C9H13NO5S2
Molecular weight
279.34
Exact mass
279.0235
XLogP
0.84
TPSA
74.72
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
4
Heavy atoms
17
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.667
Molar refractivity
61

Supplementary Information

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