SMILES:
O=Cc1ccc(OCCN2CCOCC2)c(Br)c1Molecular Processing
Molecular formula
C13H16BrNO3
Molecular weight
314.18
Exact mass
313.0314
XLogP
1.97
TPSA
38.77
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
5
Heavy atoms
18
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.462
Molar refractivity
72.28
Supplementary Information
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