Molecule

ID:104225

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₃ClO
Molecular Mass
218.76342
Exact Mass
218.14374304
Charge
0
InChI
InChI=1S/C12H23ClO/c1-2-3-4-5-6-7-8-9-10-11-12(13)14/h2-11H2,1H3
InChIKey
NQGIJDNPUZEBRU-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCCCCCC(=O)Cl
Isomeric Smiles
CCCCCCCCCCCC(=O)Cl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.0116377
LogD (pH = 7.4)
5.0116377
Log P
5.0116377
Molar Refractivity
62.5381
Polarizability
24.755411
Polar Surface Area
17.07
Rotatable Bonds
10
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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