Molecule

ID:14025

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₁ClO₄
Molecular Mass
242.65564
Exact Mass
242.03458651
Charge
0
InChI
InChI=1S/C11H11ClO4/c1-2-15-10-5-8(7-13)3-4-9(10)16-11(14)6-12/h3-5,7H,2,6H2,1H3
InChIKey
XKYXIOLLSAFYRF-UHFFFAOYSA-N
Canonic Smiles
CCOc1cc(C=O)ccc1OC(=O)CCl
Isomeric Smiles
c1(c(cc(cc1)C=O)OCC)OC(=O)CCl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.0294895
LogD (pH = 7.4)
2.0294895
Log P
2.0294895
Molar Refractivity
59.7394
Polarizability
22.923206
Polar Surface Area
52.6
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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