Molecule

ID:114825

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈N₂O₂
Molecular Mass
188.18272
Exact Mass
188.05857751
Charge
0
InChI
InChI=1S/C10H8N2O2/c1-6-2-3-7-4-5-8(10(13)14)12-9(7)11-6/h2-5H,1H3,(H,13,14)
InChIKey
SYRROODKCBUUFP-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(n1)nc(cc2)C(=O)O
Isomeric Smiles
n1c2nc(ccc2ccc1C(=O)O)C
Calculated Properties
JChem
Acid pKa
3.5493608
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.53310716
LogD (pH = 7.4)
-1.9476649
Log P
1.413036
Molar Refractivity
50.8709
Polarizability
19.477705
Polar Surface Area
63.08
Rotatable Bonds
1
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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