Molecule

ID:131831

General Information
Structure
MolImage
Molecular Formula
C₁₅H₂₆O₂
Molecular Mass
238.36574
Exact Mass
238.19328007
Charge
0
InChI
InChI=1S/C15H26O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15(16)17-2/h3-5,8-14H2,1-2H3
InChIKey
KKPNKVPBWQJZOL-UHFFFAOYSA-N
Canonic Smiles
CCCCC#CCCCCCCCC(=O)OC
Isomeric Smiles
CCCCC#CCCCCCCCC(=O)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.0980463
LogD (pH = 7.4)
5.0980463
Log P
5.0980463
Molar Refractivity
72.0121
Polarizability
28.026962
Polar Surface Area
26.3
Rotatable Bonds
12
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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