Molecule

ID:24660

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈N₂O₂
Molecular Mass
188.18272
Exact Mass
188.05857751
Charge
0
InChI
InChI=1S/C10H8N2O2/c13-10(14)9-6-8(11-12-9)7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14)
InChIKey
QBPUOAJBMXXBNU-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1[nH]nc(c1)c1ccccc1
Isomeric Smiles
c1(cc(n[nH]1)c1ccccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.4908886
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.11681892
LogD (pH = 7.4)
-1.4911587
Log P
1.8880895
Molar Refractivity
51.6433
Polarizability
20.416302
Polar Surface Area
65.98
Rotatable Bonds
2
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
References
Bioactivity
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