SMILES:
Br.NCCc1cccc2ccc(O)cc12Molecular Processing
Molecular formula
C12H14BrNO
Molecular weight
268.15
Exact mass
267.0259
XLogP
2.62
TPSA
46.25
H-bond donors
2
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
2
Fraction Csp3
0.167
Molar refractivity
68.69
Supplementary Information
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