Molecule

ID:41507

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂Cl₂O₂
Molecular Mass
235.10708
Exact Mass
234.02143498
Charge
0
InChI
InChI=1S/C10H12Cl2O2/c11-5-7-13-9-1-2-10(4-3-9)14-8-6-12/h1-4H,5-8H2
InChIKey
DKPKDJGAQOVXJC-UHFFFAOYSA-N
Canonic Smiles
ClCCOc1ccc(cc1)OCCCl
Isomeric Smiles
c1(ccc(cc1)OCCCl)OCCCl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.986883
LogD (pH = 7.4)
2.986883
Log P
2.986883
Molar Refractivity
57.671
Polarizability
22.738207
Polar Surface Area
18.46
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
No Data Available
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Molecule Details
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References
Bioactivity
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