Molecule

ID:34655

General Information
Structure
MolImage
Molecular Formula
C₆H₁₅NO₂
Molecular Mass
133.1888
Exact Mass
133.11027873
Charge
0
InChI
InChI=1S/C6H15NO2/c1-5(8)3-7-4-6(2)9/h5-9H,3-4H2,1-2H3
InChIKey
LVTYICIALWPMFW-UHFFFAOYSA-N
Canonic Smiles
CC(CNCC(O)C)O
Isomeric Smiles
N(CC(O)C)CC(O)C
Calculated Properties
JChem
LogD (pH = 7.4)
-2.86
LogD (pH = 5.5)
-3.92
Log P
-0.74
Rotatable Bonds
4
H Donor
3
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
9.55
Polar Surface Area
52.49
Polarizability
15.43
Molar Refractivity
36.12
LOG S
0.46
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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