Molecule

ID:59215

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁NO₂
Molecular Mass
129.15704
Exact Mass
129.0789786
Charge
0
InChI
InChI=1S/C6H11NO2/c7-6(8)5-1-3-9-4-2-5/h5H,1-4H2,(H2,7,8)
InChIKey
DGOYLVBDCVINQZ-UHFFFAOYSA-N
Canonic Smiles
NC(=O)C1CCOCC1
Isomeric Smiles
C1COCCC1C(=O)N
Calculated Properties
JChem
Acid pKa
16.344204
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.60928285
LogD (pH = 7.4)
-0.60928255
Log P
-0.60928255
Molar Refractivity
33.2166
Polarizability
12.991205
Polar Surface Area
52.32
Rotatable Bonds
1
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