SMILES:
CC(=O)NC(C)c1ccc(Br)cc1Molecular Processing
Molecular formula
C10H12BrNO
Molecular weight
242.12
Exact mass
241.0102
XLogP
2.65
TPSA
29.1
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
13
Rings
1
Aromatic rings
1
Saturated rings
0
Aliphatic rings
0
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.3
Molar refractivity
56.37
Supplementary Information
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