Molecule

ID:59310

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈N₂O₂
Molecular Mass
188.18272
Exact Mass
188.05857751
Charge
0
InChI
InChI=1S/C10H8N2O2/c13-10(14)8-3-1-2-7(6-8)9-11-4-5-12-9/h1-6H,(H,11,12)(H,13,14)
InChIKey
MNADQOFGANNAQY-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccc(c1)c1ncc[nH]1
Isomeric Smiles
c1ccc(cc1C(=O)O)c1[nH]ccn1
Calculated Properties
JChem
Acid pKa
3.8925188
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.21175686
LogD (pH = 7.4)
-0.83179086
Log P
0.2653486
Molar Refractivity
61.3706
Polarizability
19.731339
Polar Surface Area
65.98
Rotatable Bonds
2
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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