SMILES:
COc1cn(-c2cc3c(cc2F)OC(F)(F)O3)nc(Br)c1=OMolecular Processing
Molecular formula
C12H6BrF3N2O4
Molecular weight
379.09
Exact mass
377.9463
XLogP
2.46
TPSA
62.58
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
2
Heavy atoms
22
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.167
Molar refractivity
70.25
Supplementary Information
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