SMILES:
COC(=O)c1ccc(CBr)cc1Oc1ccccc1Molecular Processing
Molecular formula
C15H13BrO3
Molecular weight
321.17
Exact mass
320.0048
XLogP
4.16
TPSA
35.53
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
4
Heavy atoms
19
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.133
Molar refractivity
76.93
Supplementary Information
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