SMILES:
Oc1ccc(Br)cc1CC1CNCCO1Molecular Processing
Molecular formula
C11H14BrNO2
Molecular weight
272.14
Exact mass
271.0208
XLogP
1.69
TPSA
41.49
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
15
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
62.12
Supplementary Information
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