Molecule

ID:128445

General Information
Structure
MolImage
Molecular Formula
C₅H₈KNO₄
Molecular Mass
185.21962
Exact Mass
185.00903942
Charge
0
InChI
InChI=1S/C5H9NO4.K/c6-3(5(9)10)1-2-4(7)8;/h3H,1-2,6H2,(H,7,8)(H,9,10);/q;+1/p-1
InChIKey
HQEROMHPIOLGCB-UHFFFAOYSA-M
Canonic Smiles
OC(=O)CCC(C(=O)[O-])N.[K+]
Isomeric Smiles
[K+].O=C([O-])C(N)CCC(=O)O
Calculated Properties
JChem
Acid pKa
1.8777773
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-4.4458017
LogD (pH = 7.4)
-6.180975
Log P
-3.241447
Molar Refractivity
42.1248
Polarizability
12.57248
Polar Surface Area
103.45
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
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
References
Bioactivity
Navigation