SMILES:
Cc1cc(-c2ccc(O)cc2)n(-c2ccc(Br)cc2)c1CMolecular Processing
Molecular formula
C18H16BrNO
Molecular weight
342.24
Exact mass
341.0415
XLogP
5.23
TPSA
25.16
H-bond donors
1
H-bond acceptors
1
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
3
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.111
Molar refractivity
90.04
Supplementary Information
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