Molecule

ID:108174

General Information
Structure
MolImage
Molecular Formula
C₆H₁₆N₂O
Molecular Mass
132.20404
Exact Mass
132.12626314
Charge
0
InChI
InChI=1S/C6H16N2O/c1-3-8(4-2)7-5-6-9/h7,9H,3-6H2,1-2H3
InChIKey
XPKBZAZTMIVEIF-UHFFFAOYSA-N
Canonic Smiles
OCCNN(CC)CC
Isomeric Smiles
CCN(CC)NCCO
Calculated Properties
JChem
Acid pKa
15.554132
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.2831414
LogD (pH = 7.4)
-0.6401034
Log P
-0.62083024
Molar Refractivity
49.2945
Polarizability
15.252584
Polar Surface Area
35.5
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