Molecule

ID:75859

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₂
Molecular Mass
202.2093
Exact Mass
202.07422757
Charge
0
InChI
InChI=1S/C11H10N2O2/c1-8-12-5-6-13(8)10-4-2-3-9(7-10)11(14)15/h2-7H,1H3,(H,14,15)
InChIKey
ZGRKUYBDLZMGQH-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccc(c1)n1ccnc1C
Isomeric Smiles
n1c(n(c2cccc(c2)C(=O)O)cc1)C
Calculated Properties
JChem
Acid pKa
3.9660146
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.5889703
LogD (pH = 7.4)
-1.1188495
Log P
-0.550335
Molar Refractivity
65.7033
Polarizability
21.501352
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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