이름: 2-(2-amino-4-trifluoromethylphenoxy)-4,5-dichlorobenzenesulfonic acid
SMILES:
Nc1cc(C(F)(F)F)ccc1Oc1cc(Cl)c(Cl)cc1S(=O)(=O)OMolecular Processing
Molecular formula
C13H8Cl2F3NO4S
Molecular weight
402.18
Exact mass
400.9503
XLogP
4.63
TPSA
89.62
H-bond donors
2
H-bond acceptors
4
Rotatable bonds
3
Heavy atoms
24
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.077
Molar refractivity
82.21
Supplementary Information
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