SMILES:
CC(C)=CCC(C)[C@H](O)/C=C/[C@@H]1[C@@H](CCCCCCC(=O)O)[C@H](Cl)C[C@H]1OMolecular Processing
Molecular formula
C22H37ClO4
Molecular weight
400.99
Exact mass
400.238
XLogP
4.93
TPSA
77.76
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
12
Heavy atoms
27
Rings
1
Aromatic rings
0
Saturated rings
1
Aliphatic rings
1
Stereo centers
6
Undefined stereo
1
Formal charge
0
Heteroatoms
5
Covalent units
1
Fraction Csp3
0.773
Molar refractivity
110.94
Supplementary Information
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