SMILES:
COc1cccc(CC/C=C/C(CC2=C(C)CCC23SCCS3)OCc2ccccc2)c1Molecular Processing
Molecular formula
C28H34O2S2
Molecular weight
466.71
Exact mass
466.2
XLogP
7.45
TPSA
18.46
H-bond donors
0
H-bond acceptors
4
Rotatable bonds
10
Heavy atoms
32
Rings
4
Aromatic rings
2
Saturated rings
1
Aliphatic rings
2
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
4
Covalent units
1
Fraction Csp3
0.429
Molar refractivity
139.67
Supplementary Information
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