Molecule

ID:40794

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁ClO₅
Molecular Mass
258.65504
Exact Mass
258.02950113
Charge
0
InChI
InChI=1S/C11H11ClO5/c1-15-10(13)9(11(14)16-2)17-8-5-3-7(12)4-6-8/h3-6,9H,1-2H3
InChIKey
QAZOUQVJXMWOAE-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(C(=O)OC)Oc1ccc(cc1)Cl
Isomeric Smiles
C(C(=O)OC)(C(=O)OC)Oc1ccc(Cl)cc1
Calculated Properties
JChem
Acid pKa
16.361681
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.1837087
LogD (pH = 7.4)
2.1837087
Log P
2.1837087
Molar Refractivity
58.9289
Polarizability
23.746836
Polar Surface Area
61.83
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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