SMILES:
O=C(O)CCCCCSC1=CC(OC2CCCCO2)CC1=OMolecular Processing
Molecular formula
C16H24O5S
Molecular weight
328.43
Exact mass
328.1344
XLogP
3.13
TPSA
72.83
H-bond donors
1
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
22
Rings
2
Aromatic rings
0
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.75
Molar refractivity
84.73
Supplementary Information
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