Molecule
ID:50419
General Information
Molecular Formula
C₆H₁₄N₂O
Molecular Mass
130.18816
Exact Mass
130.11061308
Charge
0
InChI
InChI=1S/C6H14N2O/c7-2-1-3-8-4-6(9)5-8/h6,9H,1-5,7H2
InChIKey
MUDISGIJYNRYEJ-UHFFFAOYSA-N
Canonic Smiles
NCCCN1CC(C1)O
Isomeric Smiles
N1(CC(C1)O)CCCN
Calculated Properties
JChem
Acid pKa
14.793821
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-5.462451
LogD (pH = 7.4)
-3.9880147
Log P
-1.3487145
Molar Refractivity
36.7968
Polarizability
14.724356
Polar Surface Area
49.49
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
Loading...
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
Loading...
Bioactivity
Loading...