이름: 3-(3-Bromo-phenyl)-2-benzylsulfonylmethyl-propionic acid
SMILES:
O=C(O)C(Cc1cccc(Br)c1)CS(=O)(=O)Cc1ccccc1Molecular Processing
Molecular formula
C17H17BrO4S
Molecular weight
397.29
Exact mass
396.0031
XLogP
3.31
TPSA
71.44
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
7
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.235
Molar refractivity
92.9
Supplementary Information
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