Molecule

ID:70367

General Information
Structure
Molecular Formula
C₅H₉NO₂
Molecular Mass
115.13046
Exact Mass
115.06332853
Charge
0
InChI
InChI=1S/C5H9NO2/c7-5(8)4-2-1-3-6-4/h4,6H,1-3H2,(H,7,8)
InChIKey
ONIBWKKTOPOVIA-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C1CCCN1
Isomeric Smiles
N1C(CCC1)C(=O)O
Calculated Properties
JChem
LogD (pH = 7.4)
-2.57
LogD (pH = 5.5)
-2.57
Log P
-2.57
Rotatable Bonds
1
H Donor
2
H Acceptors
3
Lipinski's Rule of Five
true
Acid pKa
1.94
Polar Surface Area
49.33
Polarizability
11.51
Molar Refractivity
28.06
LOG S
0.20
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation