Molecule

ID:110950

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/t3-;/m0./s1
InChIKey
HQEROMHPIOLGCB-DFWYDOINSA-M
Canonic Smiles
[O-]C(=O)CC[C@@H](C(=O)O)N.[K+]
Isomeric Smiles
[K+].N[C@@H](CCC(=O)[O-])C(=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
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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