Molecule

ID:111769

General Information
Structure
MolImage
Molecular Formula
C₆H₁₅NO
Molecular Mass
117.1894
Exact Mass
117.11536411
Charge
0
InChI
InChI=1S/C6H15NO/c1-7(2)5-3-4-6-8/h8H,3-6H2,1-2H3
InChIKey
QCTOLMMTYSGTDA-UHFFFAOYSA-N
Canonic Smiles
OCCCCN(C)C
Isomeric Smiles
CN(C)CCCCO
Calculated Properties
JChem
Acid pKa
15.972566
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.3011842
LogD (pH = 7.4)
-1.9966172
Log P
0.077389866
Molar Refractivity
35.7904
Polarizability
13.926987
Polar Surface Area
23.47
Rotatable Bonds
4
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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