Molecule

ID:108336

General Information
Structure
MolImage
Molecular Formula
C₁₁H₂₂
Molecular Mass
154.29238
Exact Mass
154.1721507
Charge
0
InChI
InChI=1S/C11H22/c1-4-11(2,3)10-8-6-5-7-9-10/h10H,4-9H2,1-3H3
InChIKey
HEOYZKPYPRYIAR-UHFFFAOYSA-N
Canonic Smiles
CCC(C1CCCCC1)(C)C
Isomeric Smiles
CCC(C)(C)C1CCCCC1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.4306345
LogD (pH = 7.4)
4.4306345
Log P
4.4306345
Molar Refractivity
50.3803
Polarizability
20.317463
Polar Surface Area
0.0
Rotatable Bonds
2
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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