SMILES:
CCCCCCCCCCCCC1COc2cscc2O1Molecular Processing
Molecular formula
C18H30O2S
Molecular weight
310.5
Exact mass
310.1967
XLogP
6.2
TPSA
18.46
H-bond donors
0
H-bond acceptors
3
Rotatable bonds
11
Heavy atoms
21
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
1
Undefined stereo
1
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.778
Molar refractivity
90.69
Supplementary Information
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