CCC(CC)(C(=O)O)S(=O)(=O)c1ccccc1
SMILES: CCC(CC)(C(=O)O)S(=O)(=O)c1ccccc1

Molecular Processing

Molecular formula
C12H16O4S
Molecular weight
256.32
Exact mass
256.0769
XLogP
2.1
TPSA
71.44
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
17
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.417
Molar refractivity
64.58

Supplementary Information

Récupération des détails…

Impliqué dans 2 réactions→

Recherche Etendue

Recherche de Sous-structure→Recherche de Similitude→