SMILES:
O=C(O)c1cc(Br)cc2c1OC(c1ccccc1)(c1ccccc1)O2Molecular Processing
Molecular formula
C20H13BrO4
Molecular weight
397.22
Exact mass
395.9997
XLogP
4.82
TPSA
55.76
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
3
Heavy atoms
25
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.05
Molar refractivity
96.02
Supplementary Information
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