Molecule

ID:119965

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈N₂O₂
Molecular Mass
188.18272
Exact Mass
188.05857751
Charge
0
InChI
InChI=1S/C10H8N2O2/c11-9-6-3-1-2-4-8(6)12-5-7(9)10(13)14/h1-5H,(H2,11,12)(H,13,14)
InChIKey
UEFKMJWKPVAVND-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cnc2c(c1N)cccc2
Isomeric Smiles
c1(c(c2c(nc1)cccc2)N)C(=O)O
Calculated Properties
JChem
Acid pKa
2.9493515
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.041210413
LogD (pH = 7.4)
-0.015987832
Log P
0.038981754
Molar Refractivity
51.9359
Polarizability
20.401117
Polar Surface Area
76.21
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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