Molecule

ID:63539

General Information
Structure
MolImage
Molecular Formula
C₃H₄N₂O
Molecular Mass
84.07666
Exact Mass
84.03236276
Charge
0
InChI
InChI=1S/C3H4N2O/c4-3-1-2-6-5-3/h1-2H,(H2,4,5)
InChIKey
RHFWLPWDOYJEAL-UHFFFAOYSA-N
Canonic Smiles
Nc1ccon1
Isomeric Smiles
c1(ccon1)N
Calculated Properties
JChem
Acid pKa
17.544899
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.10328874
LogD (pH = 7.4)
0.103322364
Log P
0.10332279
Molar Refractivity
22.5139
Polarizability
7.511685
Polar Surface Area
52.05
Rotatable Bonds
0
Lipinski's Rule of Five
true
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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