Molecule

ID:121530

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈KNO₂
Molecular Mass
213.27432
Exact Mass
213.01921018
Charge
0
InChI
InChI=1S/C10H9NO2.K/c12-10(13)5-7-6-11-9-4-2-1-3-8(7)9;/h1-4,6,11H,5H2,(H,12,13);/q;+1/p-1
InChIKey
MLWMEUAQPRACHM-UHFFFAOYSA-M
Canonic Smiles
[O-]C(=O)Cc1c[nH]c2c1cccc2.[K+]
Isomeric Smiles
c1(c[nH]c2c1cccc2)CC(=O)[O-].[K+]
Calculated Properties
JChem
Acid pKa
4.6618505
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.81362313
LogD (pH = 7.4)
-0.96409625
Log P
1.7097561
Molar Refractivity
59.2892
Polarizability
19.615776
Polar Surface Area
55.92
Rotatable Bonds
2
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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