Molecule

ID:111739

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁ClO
Molecular Mass
134.60394
Exact Mass
134.04984265
Charge
0
InChI
InChI=1S/C6H11ClO/c7-5-1-3-6(8)4-2-5/h5-6,8H,1-4H2
InChIKey
HVPIAXWCSPHTAY-UHFFFAOYSA-N
Canonic Smiles
OC1CCC(CC1)Cl
Isomeric Smiles
OC1CCC(Cl)CC1
Calculated Properties
JChem
Acid pKa
15.257011
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.2485667
LogD (pH = 7.4)
1.2485667
Log P
1.2485667
Molar Refractivity
33.996
Polarizability
13.51855
Polar Surface Area
20.23
Rotatable Bonds
0
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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