SMILES:
COC(=O)c1cc(N(CCBr)CCBr)c(S(C)(=O)=O)cc1[N+](=O)[O-]Molecular Processing
Molecular formula
C13H16Br2N2O6S
Molecular weight
488.15
Exact mass
485.9096
XLogP
2.38
TPSA
106.82
H-bond donors
0
H-bond acceptors
7
Rotatable bonds
8
Heavy atoms
24
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
11
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
97.35
Supplementary Information
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