Molecule

ID:77469

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈N₂O₂
Molecular Mass
188.18272
Exact Mass
188.05857751
Charge
0
InChI
InChI=1S/C10H8N2O2/c1-7-11-10(14-12-7)9-4-2-3-8(5-9)6-13/h2-6H,1H3
InChIKey
YUNJEYQSCYYAEF-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cccc(c1)c1onc(n1)C
Isomeric Smiles
O=Cc1cc(ccc1)c1nc(no1)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
2.064744
LogD (pH = 7.4)
2.0647445
Log P
2.0647445
Molar Refractivity
62.9841
Polarizability
19.37891
Polar Surface Area
55.99
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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