Molecule

ID:42489

General Information
Structure
Molecular Formula
C₇H₆N₂O
Molecular Mass
134.13534
Exact Mass
134.04801282
Charge
0
InChI
InChI=1S/C7H6N2O/c10-6-2-1-4-9-5-3-8-7(6)9/h1-5,10H
InChIKey
VPUDIWIKGNMSOL-UHFFFAOYSA-N
Canonic Smiles
Oc1cccn2c1ncc2
Isomeric Smiles
c12n(ccn1)cccc2O
Calculated Properties
JChem
Acid pKa
8.145031
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.068374656
LogD (pH = 7.4)
0.37307647
Log P
0.45598412
Molar Refractivity
37.9173
Polarizability
13.895765
Polar Surface Area
37.53
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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