Molecule
ID:59200
General Information
Molecular Formula
C₈H₁₆N₂O
Molecular Mass
156.22544
Exact Mass
156.12626314
Charge
0
InChI
InChI=1S/C8H16N2O/c9-7(11)8(10)5-3-1-2-4-6-8/h1-6,10H2,(H2,9,11)
InChIKey
KMIKLGPOGVJVPI-UHFFFAOYSA-N
Canonic Smiles
NC(=O)C1(N)CCCCCC1
Isomeric Smiles
C1CCCC(CC1)(C(=O)N)N
Calculated Properties
JChem
Acid pKa
16.48787
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.312967
LogD (pH = 7.4)
-0.8504003
Log P
0.5175682
Molar Refractivity
43.4806
Polarizability
17.470844
Polar Surface Area
69.11
Rotatable Bonds
1
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...