SMILES:
Cn1ncc(Br)c1-c1c(F)ccc([N+](=O)[O-])c1FMolecular Processing
Molecular formula
C10H6BrF2N3O2
Molecular weight
318.08
Exact mass
316.9611
XLogP
3.04
TPSA
60.96
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
18
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.1
Molar refractivity
62.91
Supplementary Information
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