Molecule

ID:34728

General Information
Structure
Molecular Formula
C₈H₁₈N₂O₂
Molecular Mass
174.24072
Exact Mass
174.13682783
Charge
0
InChI
InChI=1S/C8H18N2O2/c11-6-8-12-7-5-10-3-1-9-2-4-10/h9,11H,1-8H2
InChIKey
FLNQAPQQAZVRDA-UHFFFAOYSA-N
Canonic Smiles
OCCOCCN1CCNCC1
Isomeric Smiles
N1(CCOCCO)CCNCC1
Calculated Properties
JChem
Acid pKa
15.121228
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-4.267113
LogD (pH = 7.4)
-2.9331048
Log P
-1.0828364
Molar Refractivity
48.0793
Polarizability
19.106642
Polar Surface Area
44.73
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation