SMILES:
CCCCCC(=O)CSC1C(O)CC(O)C1CC=CCCCC(=O)OMolecular Processing
Molecular formula
C19H32O5S
Molecular weight
372.53
Exact mass
372.197
XLogP
3.18
TPSA
94.83
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
13
Heavy atoms
25
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.789
Molar refractivity
100.76
Supplementary Information
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