Molecule

ID:88319

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁ClO
Molecular Mass
134.60394
Exact Mass
134.04984265
Charge
0
InChI
InChI=1S/C6H11ClO/c7-5-3-1-2-4-6-8/h6H,1-5H2
InChIKey
GVIQYWPEJQUXLX-UHFFFAOYSA-N
Canonic Smiles
ClCCCCCC=O
Isomeric Smiles
ClCCCCCC=O
Calculated Properties
JChem
Acid pKa
15.541191
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.5701932
LogD (pH = 7.4)
1.570193
Log P
1.5701932
Molar Refractivity
35.1279
Polarizability
13.691418
Polar Surface Area
17.07
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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