SMILES:
CC12CCC(O)CC1CCC1C2CCC2(C)C1CCC2(SCc1ccccc1)SCc1ccccc1Molecular Processing
Molecular formula
C33H44OS2
Molecular weight
520.85
Exact mass
520.2834
XLogP
8.95
TPSA
20.23
H-bond donors
1
H-bond acceptors
3
Rotatable bonds
6
Heavy atoms
36
Rings
6
Aromatic rings
2
Saturated rings
4
Aliphatic rings
4
Stereo centers
7
Undefined stereo
7
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.636
Molar refractivity
155.94
Supplementary Information
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