Molecule

ID:77617

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂Cl₂O₂
Molecular Mass
235.10708
Exact Mass
234.02143498
Charge
0
InChI
InChI=1S/C10H12Cl2O2/c1-13-9-3-8(6-12)10(14-2)4-7(9)5-11/h3-4H,5-6H2,1-2H3
InChIKey
GEUWDCJVDLHSNQ-UHFFFAOYSA-N
Canonic Smiles
COc1cc(CCl)c(cc1CCl)OC
Isomeric Smiles
O(c1c(cc(c(c1)CCl)OC)CCl)C
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.8323874
LogD (pH = 7.4)
2.8323874
Log P
2.8323874
Molar Refractivity
58.7182
Polarizability
22.731153
Polar Surface Area
18.46
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
References
Bioactivity
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