SMILES:
CCOc1cccc(-c2cc(C)c(Br)cn2)c1Molecular Processing
Molecular formula
C14H14BrNO
Molecular weight
292.18
Exact mass
291.0259
XLogP
4.22
TPSA
22.12
H-bond donors
0
H-bond acceptors
2
Rotatable bonds
3
Heavy atoms
17
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
0.214
Molar refractivity
73.28
Supplementary Information
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