O=C(CCCCCCCCCc1ccc(Cl)c(Cl)c1)C1=C(O)COC1=O
SMILES: O=C(CCCCCCCCCc1ccc(Cl)c(Cl)c1)C1=C(O)COC1=O

Molecular Processing

Molecular formula
C20H24Cl2O4
Molecular weight
399.31
Exact mass
398.1052
XLogP
5.59
TPSA
63.6
H-bond donors
1
H-bond acceptors
4
Rotatable bonds
11
Heavy atoms
26
Rings
2
Aromatic rings
1
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
6
Covalent units
1
Fraction Csp3
0.5
Molar refractivity
102.72

Supplementary Information

Details werden geladen…

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