Molecule

ID:22189

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₂
Molecular Mass
202.2093
Exact Mass
202.07422757
Charge
0
InChI
InChI=1S/C11H10N2O2/c1-8-7-10(11(14)15)13(12-8)9-5-3-2-4-6-9/h2-7H,1H3,(H,14,15)
InChIKey
CLWQEWCCJFUHNV-UHFFFAOYSA-N
Canonic Smiles
Cc1nn(c(c1)C(=O)O)c1ccccc1
Isomeric Smiles
c1c(n(nc1C)c1ccccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.4542444
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.2796353
LogD (pH = 7.4)
-1.6239456
Log P
1.7680185
Molar Refractivity
56.1449
Polarizability
21.498755
Polar Surface Area
55.12
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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