Name: 3-(3,4-dichloro-benzenesulfonylamino)-3-phenyl-propionic acid
SMILES:
O=C(O)CC(NS(=O)(=O)c1ccc(Cl)c(Cl)c1)c1ccccc1Molecular Processing
Molecular formula
C15H13Cl2NO4S
Molecular weight
374.25
Exact mass
372.9942
XLogP
3.49
TPSA
83.47
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
23
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
88.22
Supplementary Information
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