SMILES:
COc1ccc(C(=O)O)cc1C=Cc1ccc(Br)cc1Molecular Processing
Molecular formula
C16H13BrO3
Molecular weight
333.18
Exact mass
332.0048
XLogP
4.33
TPSA
46.53
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
4
Heavy atoms
20
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
0.062
Molar refractivity
83.02
Supplementary Information
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