Molecule

ID:81151

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₂
Molecular Mass
142.28168
Exact Mass
142.1721507
Charge
0
InChI
InChI=1S/C10H22/c1-8(2)6-10(5)7-9(3)4/h8-10H,6-7H2,1-5H3
InChIKey
YNLBBDHDNIXQNL-UHFFFAOYSA-N
Canonic Smiles
CC(CC(C)C)CC(C)C
Isomeric Smiles
CC(CC(CC(C)C)C)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.436764
LogD (pH = 7.4)
4.436764
Log P
4.436764
Molar Refractivity
47.655
Polarizability
19.216736
Polar Surface Area
0.0
Rotatable Bonds
4
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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