SMILES:
COc1ccc(-c2ccc(Br)cc2)cn1Molecular Processing
Molecular formula
C12H10BrNO
Molecular weight
264.12
Exact mass
262.9946
XLogP
3.52
TPSA
22.12
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.083
Molar refractivity
63.93
Supplementary Information
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