COc1ccc(C2(OCCCBr)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cc(OC)c(OC)c(OC)c2)cc1
SMILES: COc1ccc(C2(OCCCBr)OC(=O)C(c3ccc4c(c3)OCO4)=C2Cc2cc(OC)c(OC)c(OC)c2)cc1

Molecular Processing

Molecular formula
C31H31BrO9
Molecular weight
627.48
Exact mass
626.1151
XLogP
5.66
TPSA
90.91
H-bond donors
0
H-bond acceptors
9
Rotatable bonds
12
Heavy atoms
41
Rings
5
Aromatic rings
3
Saturated rings
0
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
10
Covalent units
1
Fraction Csp3
0.323
Molar refractivity
154.41

Supplementary Information

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