Molecule

ID:112455

General Information
Structure
MolImage
Molecular Formula
C₈H₁₈
Molecular Mass
114.22852
Exact Mass
114.14085058
Charge
0
InChI
InChI=1S/C8H18/c1-5-7-8(3,4)6-2/h5-7H2,1-4H3
InChIKey
KUMXLFIBWFCMOJ-UHFFFAOYSA-N
Canonic Smiles
CCCC(CC)(C)C
Isomeric Smiles
CCCC(C)(C)CC
Calculated Properties
JChem
LogD (pH = 7.4)
3.72
LogD (pH = 5.5)
3.72
Log P
3.72
Rotatable Bonds
3
H Donor
0
H Acceptors
0
Lipinski's Rule of Five
true
Polar Surface Area
0.00
Polarizability
15.76
Molar Refractivity
38.43
LOG S
-3.62
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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