SMILES:
O=C=Nc1ccccc1BrMolecular Processing
Molecular formula
C7H4BrNO
Molecular weight
198.02
Exact mass
196.9476
XLogP
2.42
TPSA
29.43
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
10
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0
Molar refractivity
41.92
Supplementary Information
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