SMILES:
c1ccc(CCSCCCCCCNCCc2ccc(OCc3ccccc3)c(OCc3ccccc3)c2)cc1Molecular Processing
Molecular formula
C36H43NO2S
Molecular weight
553.81
Exact mass
553.3015
XLogP
8.51
TPSA
30.49
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
19
Heavy atoms
40
Rings
4
Aromatic rings
4
Saturated rings
0
Aliphatic rings
0
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.333
Molar refractivity
170.5
Supplementary Information
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