Molecule

ID:33370

General Information
Structure
MolImage
Molecular Formula
C₆H₁₅NO
Molecular Mass
117.1894
Exact Mass
117.11536411
Charge
0
InChI
InChI=1S/C6H15NO/c1-6(5-8)4-7(2)3/h6,8H,4-5H2,1-3H3
InChIKey
FZASHPCRPMSFEG-UHFFFAOYSA-N
Canonic Smiles
OCC(CN(C)C)C
Isomeric Smiles
N(CC(CO)C)(C)C
Calculated Properties
JChem
Acid pKa
15.440329
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-3.315058
LogD (pH = 7.4)
-1.9477985
Log P
0.03935075
Molar Refractivity
35.5622
Polarizability
13.926987
Polar Surface Area
23.47
Rotatable Bonds
3
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
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References
Bioactivity
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