Molecule

ID:106746

General Information
Structure
MolImage
Molecular Formula
C₈H₁₉NO₂
Molecular Mass
161.24196
Exact Mass
161.14157885
Charge
0
InChI
InChI=1S/C8H19NO2/c1-2-3-4-9(5-7-10)6-8-11/h10-11H,2-8H2,1H3
InChIKey
GVNHOISKXMSMPX-UHFFFAOYSA-N
Canonic Smiles
CCCCN(CCO)CCO
Isomeric Smiles
CCCCN(CCO)CCO
Calculated Properties
JChem
Acid pKa
15.291933
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-3.1672297
LogD (pH = 7.4)
-1.696527
Log P
0.13386446
Molar Refractivity
46.4463
Polarizability
18.2304
Polar Surface Area
43.7
Rotatable Bonds
7
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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