SMILES:
CC(C)=CCC(C)[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)NS(C)(=O)=O)[C@H](Cl)C[C@H]1OMolecular Processing
Molecular formula
C23H38ClNO5S
Molecular weight
476.08
Exact mass
475.2159
XLogP
3.69
TPSA
103.7
H-bond donors
3
H-bond acceptors
5
Rotatable bonds
12
Heavy atoms
31
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
6
Undefined stereo
1
Formal charge
0
Heteroatoms
8
Covalent units
1
Fraction Csp3
0.696
Molar refractivity
126.2
Supplementary Information
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