Molecule

ID:60629

General Information
Structure
MolImage
Molecular Formula
C₆H₁₁NO₂
Molecular Mass
129.15704
Exact Mass
129.0789786
Charge
0
InChI
InChI=1S/C6H11NO2/c7-5(9)6(4-8)2-1-3-6/h8H,1-4H2,(H2,7,9)
InChIKey
FDUFONMKKOFOQH-UHFFFAOYSA-N
Canonic Smiles
OCC1(CCC1)C(=O)N
Isomeric Smiles
C1(CCC1)(C(=O)N)CO
Calculated Properties
JChem
Acid pKa
14.892696
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-0.5306803
LogD (pH = 7.4)
-0.5306803
Log P
-0.5306803
Molar Refractivity
32.7418
Polarizability
12.922368
Polar Surface Area
63.32
Rotatable Bonds
2
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
References
Bioactivity
Navigation