SMILES:
NCC(=O)c1ccc(Br)cc1Molecular Processing
Molecular formula
C8H8BrNO
Molecular weight
214.06
Exact mass
212.9789
XLogP
1.59
TPSA
43.09
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
11
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
0.125
Molar refractivity
47.53
Supplementary Information
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