SMILES:
BrC1OC(COCc2ccccc2)C(OCc2ccccc2)C(OCc2ccccc2)C1OCc1ccccc1Molecular Processing
Molecular formula
C34H35BrO5
Molecular weight
603.55
Exact mass
602.1668
XLogP
7.08
TPSA
46.15
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
13
Heavy atoms
40
Rings
5
Aromatic rings
4
Saturated rings
1
Aliphatic rings
1
Stereo centers
5
Undefined stereo
5
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.294
Molar refractivity
158.74
Supplementary Information
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