이름: 3-(benzo[1,3]-dioxol-5-sulphonylamino)-4-(2-chloro-5-methoxy-phenoxy)-5-(2-hydroxy-ethoxy)-benzoic acid
SMILES:
COc1ccc(Cl)c(Oc2c(NS(=O)(=O)c3ccc4c(c3)OCO4)cc(C(=O)O)cc2OCCO)c1Molecular Processing
Molecular formula
C23H20ClNO10S
Molecular weight
537.93
Exact mass
537.0496
XLogP
3.74
TPSA
149.85
H-bond donors
3
H-bond acceptors
9
Rotatable bonds
10
Heavy atoms
36
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
13
Covalent units
1
Fraction Csp3
0.174
Molar refractivity
127.43
Supplementary Information
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