SMILES:
CC(O)c1cc(Br)no1Molecular Processing
Molecular formula
C5H6BrNO2
Molecular weight
192.01
Exact mass
190.9582
XLogP
1.49
TPSA
46.26
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
1
Heavy atoms
9
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.4
Molar refractivity
34.84
Supplementary Information
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