Molecule

ID:82773

General Information
Structure
MolImage
Molecular Formula
C₆H₄N₂O
Molecular Mass
120.10876
Exact Mass
120.03236276
Charge
0
InChI
InChI=1S/C6H4N2O/c1-2-4-6-5(3-1)7-9-8-6/h1-4H
InChIKey
AWBOSXFRPFZLOP-UHFFFAOYSA-N
Canonic Smiles
c1ccc2c(c1)non2
Isomeric Smiles
o1nc2ccccc2n1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.3232685
LogD (pH = 7.4)
1.3232685
Log P
1.3232685
Molar Refractivity
32.1348
Polarizability
12.967633
Polar Surface Area
38.92
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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