Molecule

ID:87711

General Information
Structure
MolImage
Molecular Formula
C₆H₄N₂O₂
Molecular Mass
136.10816
Exact Mass
136.02727738
Charge
0
InChI
InChI=1S/C6H4N2O2/c9-4-1-2-5-6(3-4)8-10-7-5/h1-3,9H
InChIKey
YTXFOSVCYYHADT-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)non2
Isomeric Smiles
n1c2c(no1)ccc(c2)O
Calculated Properties
JChem
Acid pKa
8.893778
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.019529
LogD (pH = 7.4)
1.0060865
Log P
1.0197031
Molar Refractivity
34.1157
Polarizability
13.582438
Polar Surface Area
59.15
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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