Name: compound ( 27 )
SMILES:
COc1cc(OC)c2c(c1)Oc1cc(Br)ccc1CC2=OMolecular Processing
Molecular formula
C16H13BrO4
Molecular weight
349.18
Exact mass
347.9997
XLogP
4
TPSA
44.76
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
2
Heavy atoms
21
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.188
Molar refractivity
81.8
Supplementary Information
Details werden geladen…
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