Molecule

ID:136348

General Information
Structure
MolImage
Molecular Formula
C₆H₁₅NO₂
Molecular Mass
133.1888
Exact Mass
133.11027873
Charge
0
InChI
InChI=1S/C6H15NO2/c1-2-7(3-5-8)4-6-9/h8-9H,2-6H2,1H3
InChIKey
AKNUHUCEWALCOI-UHFFFAOYSA-N
Canonic Smiles
OCCN(CCO)CC
Isomeric Smiles
CCN(CCO)CCO
Calculated Properties
JChem
Acid pKa
15.292017
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.018869
LogD (pH = 7.4)
-2.411774
Log P
-0.8332266
Molar Refractivity
37.3213
Polarizability
14.554339
Polar Surface Area
43.7
Rotatable Bonds
5
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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