Molecule

ID:90860

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(4-8)9-5-11-6-12-9/h1-6H,(H,11,12)(H,13,14)
InChIKey
BHMXPHTWXBSXAP-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccc(c1)c1c[nH]cn1
Isomeric Smiles
n1c[nH]cc1c1cccc(c1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.9433708
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
0.20847324
LogD (pH = 7.4)
-1.0867923
Log P
0.30619472
Molar Refractivity
51.0332
Polarizability
20.41212
Polar Surface Area
65.98
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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