SMILES:
C[C@H]1C[C@H]2O[C@@H]2CC/C=C/C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1Molecular Processing
Molecular formula
C18H19ClO6
Molecular weight
366.8
Exact mass
366.087
XLogP
2.92
TPSA
96.36
H-bond donors
2
H-bond acceptors
6
Rotatable bonds
0
Heavy atoms
25
Rings
3
Aromatic rings
1
Saturated rings
1
Aliphatic rings
2
Stereo centers
3
Undefined stereo
0
Formal charge
0
Heteroatoms
7
Covalent units
1
Fraction Csp3
0.444
Molar refractivity
90.02
Supplementary Information
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