Molecule

ID:112827

General Information
Structure
Molecular Formula
C₁₃H₁₈
Molecular Mass
174.28202
Exact Mass
174.14085058
Charge
0
InChI
InChI=1S/C13H18/c1-2-4-6-8-10-12-13-11-9-7-5-3-1/h1-5,10-13H2
InChIKey
JJCWLXCBUFGPRY-UHFFFAOYSA-N
Canonic Smiles
C1CCC#CCCCCC#CCC1
Isomeric Smiles
C1CCC#CCCCCC#CCC1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.948806
LogD (pH = 7.4)
4.948806
Log P
4.948806
Molar Refractivity
58.5358
Polarizability
21.793203
Polar Surface Area
0.0
Rotatable Bonds
0
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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