Molecule

ID:108702

General Information
Structure
MolImage
Molecular Formula
C₆H₁₅NO
Molecular Mass
117.1894
Exact Mass
117.11536411
Charge
0
InChI
InChI=1S/C6H15NO/c1-6(2,5-8)7(3)4/h8H,5H2,1-4H3
InChIKey
XRIBIDPMFSLGFS-UHFFFAOYSA-N
Canonic Smiles
OCC(N(C)C)(C)C
Isomeric Smiles
CN(C)C(C)(C)CO
Calculated Properties
JChem
Acid pKa
14.788836
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.2046504
LogD (pH = 7.4)
-1.9752216
Log P
0.19721915
Molar Refractivity
35.3374
Polarizability
13.926987
Polar Surface Area
23.47
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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