Molecule

ID:10655

General Information
Structure
Molecular Formula
C₁₂H₂₂
Molecular Mass
166.30308
Exact Mass
166.1721507
Charge
0
InChI
InChI=1S/C12H22/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h11-12H,1-10H2
InChIKey
WVIIMZNLDWSIRH-UHFFFAOYSA-N
Canonic Smiles
C1CCC(CC1)C1CCCCC1
Isomeric Smiles
C1CCCC(C1)C1CCCCC1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.555999
LogD (pH = 7.4)
4.555999
Log P
4.555999
Molar Refractivity
53.305
Polarizability
21.420174
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
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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