Molecule

ID:123493

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀Cl₂O
Molecular Mass
217.0918
Exact Mass
216.0108703
Charge
0
InChI
InChI=1S/C10H10Cl2O/c11-7-1-2-10(13)8-3-5-9(12)6-4-8/h3-6H,1-2,7H2
InChIKey
UKCHLVFIVJBCKE-UHFFFAOYSA-N
Canonic Smiles
ClCCCC(=O)c1ccc(cc1)Cl
Isomeric Smiles
C(=O)(c1ccc(cc1)Cl)CCCCl
Calculated Properties
JChem
Acid pKa
15.9986515
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1979558
LogD (pH = 7.4)
3.1979558
Log P
3.1979558
Molar Refractivity
55.4732
Polarizability
21.455807
Polar Surface Area
17.07
Rotatable Bonds
4
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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