Molecule

ID:67569

General Information
Structure
MolImage
Molecular Formula
C₈H₆N₂O
Molecular Mass
146.14604
Exact Mass
146.04801282
Charge
0
InChI
InChI=1S/C8H6N2O/c11-7-3-1-2-6-8(7)10-5-4-9-6/h1-5,11H
InChIKey
ZUQDDQFXSNXEOD-UHFFFAOYSA-N
Canonic Smiles
Oc1cccc2c1nccn2
Isomeric Smiles
n1ccnc2c(cccc12)O
Calculated Properties
JChem
Acid pKa
8.311647
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.9945043
LogD (pH = 7.4)
0.9456836
Log P
0.995513
Molar Refractivity
39.4313
Polarizability
16.67302
Polar Surface Area
46.01
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
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References
Bioactivity
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