이름: 3-sulphamoyl-4-chloro-5-(β-chloro-β-cyanoethyl)-benzoic acid
SMILES:
N#CC(Cl)Cc1cc(C(=O)O)cc(S(N)(=O)=O)c1ClMolecular Processing
Molecular formula
C10H8Cl2N2O4S
Molecular weight
323.16
Exact mass
321.9582
XLogP
1.36
TPSA
121.25
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
4
Heavy atoms
19
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
9
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
68.74
Supplementary Information
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