Molecule

ID:10722

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀Cl₂O₃
Molecular Mass
249.0906
Exact Mass
248.00069954
Charge
0
InChI
InChI=1S/C10H10Cl2O3/c1-2-14-10(13)6-15-9-4-3-7(11)5-8(9)12/h3-5H,2,6H2,1H3
InChIKey
JSLBZIVMVVHMDJ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)COc1ccc(cc1Cl)Cl
Isomeric Smiles
c1c(cc(c(c1)OCC(=O)OCC)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0043492
LogD (pH = 7.4)
3.0043492
Log P
3.0043492
Molar Refractivity
57.7331
Polarizability
22.99794
Polar Surface Area
35.53
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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