이름: Compound ( 4b )
SMILES:
CCCCCCCCCCCCCCOc1c2cc3ccsc3c(OCCCCCCCCCCCCCC)c2cc2ccsc12Molecular Processing
Molecular formula
C42H64O2S2
Molecular weight
665.11
Exact mass
664.4348
XLogP
15.43
TPSA
18.46
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
28
Heavy atoms
46
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
0.667
Molar refractivity
207.86
Supplementary Information
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