CC(C)=CCC(C)[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@H](Cl)C[C@H]1O
SMILES: CC(C)=CCC(C)[C@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)O)[C@H](Cl)C[C@H]1O

Molecular Processing

Molecular formula
C22H35ClO4
Molecular weight
398.97
Exact mass
398.2224
XLogP
4.7
TPSA
77.76
H-bond donors
3
H-bond acceptors
3
Rotatable bonds
11
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
0.682
Molar refractivity
110.85

Supplementary Information

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