Molecule

ID:112423

General Information
Structure
MolImage
Molecular Formula
C₆H₁₆N₂O₂
Molecular Mass
148.20344
Exact Mass
148.12117776
Charge
0
InChI
InChI=1S/C6H16N2O2/c9-5-3-7-1-2-8-4-6-10/h7-10H,1-6H2
InChIKey
GFIWSSUBVYLTRF-UHFFFAOYSA-N
Canonic Smiles
OCCNCCNCCO
Isomeric Smiles
OCCNCCNCCO
Calculated Properties
JChem
Acid pKa
15.301099
H Acceptors
4
H Donor
4
LogD (pH = 5.5)
-6.0358386
LogD (pH = 7.4)
-3.8775103
Log P
-1.9374859
Molar Refractivity
40.0024
Polarizability
16.083559
Polar Surface Area
64.52
Rotatable Bonds
7
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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