C#CC1(NCCCS(=O)(=O)O)CCCCC1
SMILES: C#CC1(NCCCS(=O)(=O)O)CCCCC1

Molecular Processing

Molecular formula
C11H19NO3S
Molecular weight
245.34
Exact mass
245.1086
XLogP
1.19
TPSA
66.4
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
16
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
0.818
Molar refractivity
63.68

Supplementary Information

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