SMILES:
O=Cc1ccc(-c2cnco2)c(Br)c1Molecular Processing
Molecular formula
C10H6BrNO2
Molecular weight
252.07
Exact mass
250.9582
XLogP
2.92
TPSA
43.1
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
14
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0
Molar refractivity
55.03
Supplementary Information
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