Molecule

ID:132511

General Information
Structure
MolImage
Molecular Formula
C₄H₆KNO₄
Molecular Mass
171.19304
Exact Mass
170.99338936
Charge
0
InChI
InChI=1S/C4H7NO4.K/c5-2(4(8)9)1-3(6)7;/h2H,1,5H2,(H,6,7)(H,8,9);/q;+1/p-1
InChIKey
TXXVQZSTAVIHFD-UHFFFAOYSA-M
Canonic Smiles
OC(=O)CC(C(=O)[O-])N.[K+]
Isomeric Smiles
C(C(C(=O)[O-])N)C(=O)O.[K+]
Calculated Properties
JChem
Acid pKa
1.7025436
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-4.018386
LogD (pH = 7.4)
-5.749634
Log P
-3.5037527
Molar Refractivity
37.3698
Polarizability
10.777578
Polar Surface Area
103.45
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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