Molecule

ID:38114

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)4-7-3/h7-8H,4-5H2,1-3H3
InChIKey
ZCCHIQJONBEULF-UHFFFAOYSA-N
Canonic Smiles
OCC(CNC)(C)C
Isomeric Smiles
C(C)(C)(CNC)CO
Calculated Properties
JChem
Acid pKa
15.08876
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-3.0720682
LogD (pH = 7.4)
-2.3958168
Log P
0.1486544
Molar Refractivity
34.6104
Polarizability
13.926987
Polar Surface Area
32.26
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
References
Bioactivity
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