SMILES:
COc1cc(OC)cc(Oc2cc(Br)ccc2CBr)c1Molecular Processing
Molecular formula
C15H14Br2O3
Molecular weight
402.08
Exact mass
399.931
XLogP
5.15
TPSA
27.69
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
5
Heavy atoms
20
Rings
2
Aromatic rings
2
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.2
Molar refractivity
86.39
Supplementary Information
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