Molecule

ID:24441

General Information
Structure
MolImage
Molecular Formula
C₁₂H₂₆N₂O
Molecular Mass
214.34764
Exact Mass
214.20451346
Charge
0
InChI
InChI=1S/C12H26N2O/c1-3-5-6-7-8-10-13-11-9-12(15)14-4-2/h13H,3-11H2,1-2H3,(H,14,15)
InChIKey
QFIGVBPBCKAYSQ-UHFFFAOYSA-N
Canonic Smiles
CCCCCCCNCCC(=O)NCC
Isomeric Smiles
C(=O)(CCNCCCCCCC)NCC
Calculated Properties
JChem
Acid pKa
16.307173
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-1.2584351
LogD (pH = 7.4)
-0.46102697
Log P
1.953264
Molar Refractivity
64.6215
Polarizability
25.570793
Polar Surface Area
41.13
Rotatable Bonds
10
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
暂无数据
点击上传数据
References
Bioactivity
Navigation