CC(C)NCCCCS(=O)(=O)c1ccccc1.Cl
SMILES: CC(C)NCCCCS(=O)(=O)c1ccccc1.Cl

Molecular Processing

Molecular formula
C13H22ClNO2S
Molecular weight
291.84
Exact mass
291.106
XLogP
2.66
TPSA
46.17
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
18
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
2
Fraction Csp3
0.538
Molar refractivity
78.12

Supplementary Information

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