COC1CC(C(=O)O)N(C(=O)CCCS)C1
SMILES: COC1CC(C(=O)O)N(C(=O)CCCS)C1

Molecular Processing

Molecular formula
C10H17NO4S
Molecular weight
247.32
Exact mass
247.0878
XLogP
0.4
TPSA
66.84
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
16
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.8
Molar refractivity
61.64

Supplementary Information

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