Molecule

ID:75457

General Information
Structure
MolImage
Molecular Formula
C₈H₆N₂O₂
Molecular Mass
162.14544
Exact Mass
162.04292744
Charge
0
InChI
InChI=1S/C8H6N2O2/c11-5-1-2-7-6(3-5)8(12)10-4-9-7/h1-4,11H,(H,9,10,12)
InChIKey
QJRNXXLTDWMENM-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)c(=O)[nH]cn2
Isomeric Smiles
n1c[nH]c(=O)c2cc(ccc12)O
Calculated Properties
JChem
Acid pKa
8.667724
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.40808004
LogD (pH = 7.4)
0.3989995
Log P
0.42117646
Molar Refractivity
44.8803
Polarizability
15.625693
Polar Surface Area
61.69
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
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Molecule Details
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References
Bioactivity
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