Molecule

ID:67845

General Information
Structure
MolImage
Molecular Formula
C₈H₆N₂O
Molecular Mass
146.14604
Exact Mass
146.04801282
Charge
0
InChI
InChI=1S/C8H6N2O/c11-8-5-9-10-7-4-2-1-3-6(7)8/h1-5H,(H,10,11)
InChIKey
UFMBERDMCRCVSM-UHFFFAOYSA-N
Canonic Smiles
Oc1cnnc2c1cccc2
Isomeric Smiles
n1ncc(c2ccccc12)O
Calculated Properties
JChem
Acid pKa
10.463997
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.84347737
LogD (pH = 7.4)
0.8471478
Log P
0.8475652
Molar Refractivity
41.8235
Polarizability
16.673536
Polar Surface Area
46.01
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
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Molecule Details
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References
Bioactivity
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