COc1ccc(C(=O)CCCCCBr)cc1NS(C)(=O)=O
SMILES: COc1ccc(C(=O)CCCCCBr)cc1NS(C)(=O)=O

Molecular Processing

Molecular formula
C14H20BrNO4S
Molecular weight
378.29
Exact mass
377.0296
XLogP
3.2
TPSA
72.47
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
9
Heavy atoms
21
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
88.05

Supplementary Information

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