Molecule

ID:129089

General Information
Structure
MolImage
Molecular Formula
C₇H₉N₂O+
Molecular Mass
137.15916
Exact Mass
137.07148792
Charge
1
InChI
InChI=1S/C7H8N2O/c1-9-5-3-2-4-7(9)6-8-10/h2-6H,1H3/p+1
InChIKey
JBKPUQTUERUYQE-UHFFFAOYSA-O
Canonic Smiles
O/N=C/c1cccc[n+]1C
Isomeric Smiles
O/N=C/c1cccc[n+]1C
Calculated Properties
JChem
LogD (pH = 7.4)
-3.44
LogD (pH = 5.5)
-3.26
Log P
-3.26
Rotatable Bonds
1
H Donor
1
H Acceptors
2
Lipinski's Rule of Five
true
Acid pKa
7.63
Polar Surface Area
36.47
Polarizability
14.44
Molar Refractivity
40.33
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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