SMILES:
CCOc1cccc(-c2ccc(Br)cn2)c1Molecular Processing
Molecular formula
C13H12BrNO
Molecular weight
278.15
Exact mass
277.0102
XLogP
3.91
TPSA
22.12
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
16
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
0.154
Molar refractivity
68.54
Supplementary Information
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