Molecule

ID:73453

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₂
Molecular Mass
202.2093
Exact Mass
202.07422757
Charge
0
InChI
InChI=1S/C11H10N2O2/c1-6-7(2)13-10-8(11(14)15)4-3-5-9(10)12-6/h3-5H,1-2H3,(H,14,15)
InChIKey
IULOBNZHHDITLL-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccc2c1nc(C)c(n2)C
Isomeric Smiles
n1c(c(nc2cccc(c12)C(=O)O)C)C
Calculated Properties
JChem
Acid pKa
2.9898558
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-1.3848155
LogD (pH = 7.4)
-2.271175
Log P
1.2194016
Molar Refractivity
53.8896
Polarizability
21.90992
Polar Surface Area
63.08
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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