SMILES:
BrCc1ccon1Molecular Processing
Molecular formula
C4H4BrNO
Molecular weight
161.99
Exact mass
160.9476
XLogP
1.57
TPSA
26.03
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
7
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
0.25
Molar refractivity
29.13
Supplementary Information
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