SMILES:
CCC1C=CC2=C(C(=O)c3c(O)c4c(c(O)c3C2=O)C(Br)CC(O)C4)C12OCCO2Molecular Processing
Molecular formula
C22H21BrO7
Molecular weight
477.31
Exact mass
476.0471
XLogP
2.86
TPSA
113.29
H-bond donors
3
H-bond acceptors
7
Rotatable bonds
1
Heavy atoms
30
Rings
5
Aromatic rings
1
Saturated rings
1
Aliphatic rings
4
Stereo centers
3
Undefined stereo
3
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.455
Molar refractivity
109.01
Supplementary Information
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