SMILES:
Cn1ncc2c(C(=O)O)cc(Br)cc21Molecular Processing
Molecular formula
C9H7BrN2O2
Molecular weight
255.07
Exact mass
253.9691
XLogP
2.03
TPSA
55.12
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
14
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
55.37
Supplementary Information
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