SMILES:
CC(C)c1ccc(Br)c2cc[nH]c12Molecular Processing
Molecular formula
C11H12BrN
Molecular weight
238.13
Exact mass
237.0153
XLogP
4.05
TPSA
15.79
H-bond donors
1
H-bond acceptors
0
Rotatable bonds
1
Heavy atoms
13
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
2
Covalent units
1
Fraction Csp3
0.273
Molar refractivity
60.09
Supplementary Information
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