Molecule

ID:34324

General Information
Structure
MolImage
Molecular Formula
C₅H₉NO₂
Molecular Mass
115.13046
Exact Mass
115.06332853
Charge
0
InChI
InChI=1S/C5H9NO2/c7-6-5-1-3-8-4-2-5/h7H,1-4H2
InChIKey
COGGGWRHZQTITF-UHFFFAOYSA-N
Canonic Smiles
ON=C1CCOCC1
Isomeric Smiles
C1COCCC1=NO
Calculated Properties
JChem
Acid pKa
11.002429
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.11698266
LogD (pH = 7.4)
0.116884425
Log P
0.11699255
Molar Refractivity
29.3096
Polarizability
11.364257
Polar Surface Area
41.82
Rotatable Bonds
0
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