SMILES:
O=C1COCC(CO)(c2cccc(Br)c2)N1Molecular Processing
Molecular formula
C11H12BrNO3
Molecular weight
286.12
Exact mass
285.0001
XLogP
0.78
TPSA
58.56
H-bond donors
2
H-bond acceptors
3
Rotatable bonds
2
Heavy atoms
16
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.364
Molar refractivity
61.87
Supplementary Information
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