Molecule

ID:111869

General Information
Structure
MolImage
Molecular Formula
C₉H₁₈
Molecular Mass
126.23922
Exact Mass
126.14085058
Charge
0
InChI
InChI=1S/C9H18/c1-2-6-9-7-4-3-5-8-9/h9H,2-8H2,1H3
InChIKey
DEDZSLCZHWTGOR-UHFFFAOYSA-N
Canonic Smiles
CCCC1CCCCC1
Isomeric Smiles
CCCC1CCCCC1
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.8435683
LogD (pH = 7.4)
3.8435683
Log P
3.8435683
Molar Refractivity
41.3566
Polarizability
16.623379
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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