Molecule
ID:106958
General Information
Molecular Formula
C₅H₁₃NO₂
Molecular Mass
119.16222
Exact Mass
119.09462866
Charge
0
InChI
InChI=1S/C5H10O2.H3N/c1-4(2)3-5(6)7;/h4H,3H2,1-2H3,(H,6,7);1H3
InChIKey
RKCHCKMAQPJXBM-UHFFFAOYSA-N
Canonic Smiles
CC(CC(=O)[O-])C.[NH4+]
Isomeric Smiles
[NH4+].CC(C)CC(=O)[O-]
Calculated Properties
JChem
Acid pKa
5.010233
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.5975954
LogD (pH = 7.4)
-1.152361
Log P
1.2087779
Molar Refractivity
37.2573
Polarizability
10.361316
Polar Surface Area
40.13
Rotatable Bonds
2
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...