Molecule

ID:54339

General Information
Structure
MolImage
Molecular Formula
C₈H₆N₂O
Molecular Mass
146.14604
Exact Mass
146.04801282
Charge
0
InChI
InChI=1S/C8H6N2O/c1-2-7(4-9-3-1)8-5-10-6-11-8/h1-6H
InChIKey
OSPHPLUEQZNLHO-UHFFFAOYSA-N
Canonic Smiles
c1ccc(cn1)c1cnco1
Isomeric Smiles
c1cncc(c1)c1cnco1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.2511739
LogD (pH = 7.4)
0.2645178
Log P
0.26469126
Molar Refractivity
39.6242
Polarizability
16.37088
Polar Surface Area
38.92
Rotatable Bonds
1
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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