이름: 4-(2-chloro-5-methoxy-phenoxy)-3-(2-hydroxy-ethoxy)-5-(4-trifluoromethyl-benzenesulphonylamino)-benzoic acid
SMILES:
COc1ccc(Cl)c(Oc2c(NS(=O)(=O)c3ccc(C(F)(F)F)cc3)cc(C(=O)O)cc2OCCO)c1Molecular Processing
Molecular formula
C23H19ClF3NO8S
Molecular weight
561.92
Exact mass
561.0472
XLogP
5.03
TPSA
131.39
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
10
Heavy atoms
37
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
14
Covalent units
1
Fraction Csp3
0.174
Molar refractivity
126.31
Supplementary Information
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