Molecule

ID:92022

General Information
Structure
MolImage
Molecular Formula
C₅H₄NNaO
Molecular Mass
117.08113
Exact Mass
117.01905803
Charge
0
InChI
InChI=1S/C5H5NO.Na/c7-5-2-1-3-6-4-5;/h1-4,7H;/q;+1/p-1
InChIKey
WHYQZPOBOBSAIS-UHFFFAOYSA-M
Canonic Smiles
[Na]Oc1cccnc1
Isomeric Smiles
n1cc(ccc1)O[Na]
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.62143135
LogD (pH = 7.4)
0.75934714
Log P
0.7615
Molar Refractivity
24.6676
Polarizability
11.761908
Polar Surface Area
22.12
Rotatable Bonds
1
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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