Molecule

ID:112326

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈
Molecular Mass
114.22852
Exact Mass
114.14085058
Charge
0
InChI
InChI=1S/C8H18/c1-5-6-8(4)7(2)3/h7-8H,5-6H2,1-4H3
InChIKey
JXPOLSKBTUYKJB-UHFFFAOYSA-N
Canonic Smiles
CCCC(C(C)C)C
Isomeric Smiles
CCCC(C)C(C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.705176
LogD (pH = 7.4)
3.705176
Log P
3.705176
Molar Refractivity
38.5054
Polarizability
15.52291
Polar Surface Area
0.0
Rotatable Bonds
3
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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