Molecule

ID:12968

General Information
Structure
Molecular Formula
C₆H₁₆N₂O
Molecular Mass
132.20404
Exact Mass
132.12626314
Charge
0
InChI
InChI=1S/C6H16N2O/c1-8(2)5-3-7-4-6-9/h7,9H,3-6H2,1-2H3
InChIKey
OOOOBVFKGSBICZ-UHFFFAOYSA-N
Canonic Smiles
OCCNCCN(C)C
Isomeric Smiles
OCCNCCN(C)C
Calculated Properties
JChem
Acid pKa
15.602137
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-4.192462
LogD (pH = 7.4)
-2.933157
Log P
-0.86433595
Molar Refractivity
39.0048
Polarizability
15.452998
Polar Surface Area
35.5
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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