Molecule
ID:122913
General Information
Molecular Formula
C₅H₉NO₂
Molecular Mass
115.13046
Exact Mass
115.06332853
Charge
0
InChI
InChI=1S/C5H9NO2/c1-4(6)3-5(7)8-2/h3H,6H2,1-2H3/b4-3+
InChIKey
XKORCTIIRYKLLG-ONEGZZNKSA-N
Canonic Smiles
COC(=O)/C=C(/N)\C
Isomeric Smiles
C(=C(\N)/C)/C(=O)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.27686918
LogD (pH = 7.4)
-0.24352151
Log P
-0.24307932
Molar Refractivity
31.5148
Polarizability
11.62605
Polar Surface Area
52.32
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Loading...
Names and Identifiers
Loading...
Registration numbers
Loading...
Properties
No Data Available
Click here to submit data
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...