Molecule

ID:11006

General Information
Structure
MolImage
Molecular Formula
C₇H₁₈N₂O₂
Molecular Mass
162.23002
Exact Mass
162.13682783
Charge
0
InChI
InChI=1S/C7H18N2O2/c8-2-1-3-9(4-6-10)5-7-11/h10-11H,1-8H2
InChIKey
FKJVYOFPTRGCSP-UHFFFAOYSA-N
Canonic Smiles
NCCCN(CCO)CCO
Isomeric Smiles
N(CCCN)(CCO)CCO
Calculated Properties
JChem
Acid pKa
15.291958
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-7.4054713
LogD (pH = 7.4)
-5.2130733
Log P
-1.9270586
Molar Refractivity
45.3879
Polarizability
17.920284
Polar Surface Area
69.72
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
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References
Bioactivity
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