SMILES:
O=C(O)CCCC=CCC1C(=O)CC(O)C1C=CC(O)c1cc2ccccc2s1Molecular Processing
Molecular formula
C23H26O5S
Molecular weight
414.52
Exact mass
414.1501
XLogP
4.26
TPSA
94.83
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
9
Heavy atoms
29
Rings
3
Aromatic rings
2
Saturated rings
1
Aliphatic rings
1
Stereo centers
4
Undefined stereo
4
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.391
Molar refractivity
113.78
Supplementary Information
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