Molecule

ID:56964

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₂Cl₂O₂
Molecular Mass
247.11778
Exact Mass
246.02143498
Charge
0
InChI
InChI=1S/C11H12Cl2O2/c1-2-3-6-15-10-5-4-8(12)7-9(10)11(13)14/h4-5,7H,2-3,6H2,1H3
InChIKey
SKBXLNZBGAILBW-UHFFFAOYSA-N
Canonic Smiles
CCCCOc1ccc(cc1C(=O)Cl)Cl
Isomeric Smiles
c1(cc(c(cc1)OCCCC)C(=O)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.9344308
LogD (pH = 7.4)
3.9344308
Log P
3.9344308
Molar Refractivity
62.3143
Polarizability
24.028698
Polar Surface Area
26.3
Rotatable Bonds
5
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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