Molecule

ID:77644

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀Cl₂O₂
Molecular Mass
233.0912
Exact Mass
232.00578492
Charge
0
InChI
InChI=1S/C10H10Cl2O2/c1-2-14-10(13)6-7-3-4-8(11)9(12)5-7/h3-5H,2,6H2,1H3
InChIKey
QAEBVJIVEPSFRK-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)Cc1ccc(c(c1)Cl)Cl
Isomeric Smiles
Clc1c(ccc(c1)CC(=O)OCC)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.3217854
LogD (pH = 7.4)
3.3217854
Log P
3.3217854
Molar Refractivity
56.4929
Polarizability
22.277925
Polar Surface Area
26.3
Rotatable Bonds
4
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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