SMILES:
CCCCCC(OCc1ccc(OC)cc1)c1ccc(C2=C(Br)CC[C@@H]2CCCc2ccc(C(=O)OC)s2)cc1Molecular Processing
Molecular formula
C34H41BrO4S
Molecular weight
625.67
Exact mass
624.1909
XLogP
9.92
TPSA
44.76
H-bond donors
0
H-bond acceptors
5
Rotatable bonds
15
Heavy atoms
40
Rings
4
Aromatic rings
3
Saturated rings
0
Aliphatic rings
1
Stereo centers
2
Undefined stereo
1
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.441
Molar refractivity
168.28
Supplementary Information
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