Molecule

ID:111077

General Information
Structure
MolImage
Molecular Formula
C₈H₁₆O
Molecular Mass
128.21204
Exact Mass
128.12011513
Charge
0
InChI
InChI=1S/C8H16O/c1-2-8(9)7-5-3-4-6-7/h7-9H,2-6H2,1H3
InChIKey
JXLATLGQNUUYCG-UHFFFAOYSA-N
Canonic Smiles
CCC(C1CCCC1)O
Isomeric Smiles
CCC(O)C1CCCC1
Calculated Properties
JChem
Acid pKa
19.046968
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.0902348
LogD (pH = 7.4)
2.090235
Log P
2.090235
Molar Refractivity
38.3481
Polarizability
15.356882
Polar Surface Area
20.23
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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