SMILES:
O=C(CCCCCSC1=CC(OC2CCCCO2)CC1=O)Oc1ccccc1Molecular Processing
Molecular formula
C22H28O5S
Molecular weight
404.53
Exact mass
404.1657
XLogP
4.65
TPSA
61.83
H-bond donors
0
H-bond acceptors
6
Rotatable bonds
10
Heavy atoms
28
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
2
Undefined stereo
2
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.545
Molar refractivity
109.17
Supplementary Information
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