Molecule

ID:112862

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂₂
Molecular Mass
142.28168
Exact Mass
142.1721507
Charge
0
InChI
InChI=1S/C10H22/c1-5-9(6-2)10(7-3)8-4/h9-10H,5-8H2,1-4H3
InChIKey
VBZCRMTUDYIWIH-UHFFFAOYSA-N
Canonic Smiles
CCC(C(CC)CC)CC
Isomeric Smiles
CCC(CC)C(CC)CC
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.5943136
LogD (pH = 7.4)
4.5943136
Log P
4.5943136
Molar Refractivity
47.7074
Polarizability
19.216736
Polar Surface Area
0.0
Rotatable Bonds
5
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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