SMILES:
COc1ccc(Oc2c(Cl)cc([N+](=O)[O-])cc2Cl)cc1S(=O)(=O)ClMolecular Processing
Molecular formula
C13H8Cl3NO6S
Molecular weight
412.63
Exact mass
410.9138
XLogP
4.63
TPSA
95.74
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
5
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
89.22
Supplementary Information
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