SMILES:
CC(C)(C)OC(=O)N1CCOC(Cc2cc(Br)ccc2O)C1Molecular Processing
Molecular formula
C16H22BrNO4
Molecular weight
372.26
Exact mass
371.0732
XLogP
3.33
TPSA
59
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
22
Rings
2
Aromatic rings
1
Saturated rings
1
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.562
Molar refractivity
87.06
Supplementary Information
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