Molecule

ID:132138

General Information
Structure
MolImage
Molecular Formula
C₄H₈KN₂O₄
Molecular Mass
187.21562
Exact Mass
187.01211343
Charge
0
InChI
InChI=1S/C4H8N2O4.K/c5-4(10)6-2(1-7)3(8)9;/h2,7H,1H2,(H,8,9)(H3,5,6,10);
InChIKey
PCLFSDZSYILCRF-UHFFFAOYSA-N
Canonic Smiles
OCC(C(=O)O)NC(=O)N.[K]
Isomeric Smiles
C(C(C(=O)O)NC(=O)N)O.[K]
Calculated Properties
JChem
Acid pKa
3.512076
H Acceptors
4
H Donor
4
LogD (pH = 5.5)
-4.1203823
LogD (pH = 7.4)
-5.512064
Log P
-2.1403203
Molar Refractivity
30.1615
Polarizability
11.891896
Polar Surface Area
112.65
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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