Molecule

ID:50222

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₂
Molecular Mass
202.2093
Exact Mass
202.07422757
Charge
0
InChI
InChI=1S/C11H10N2O2/c1-8-4-2-5-9(11(14)15)10(8)13-7-3-6-12-13/h2-7H,1H3,(H,14,15)
InChIKey
YXZWVSIXBFPESW-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccc(c1n1cccn1)C
Isomeric Smiles
c1(c(n2nccc2)c(ccc1)C)C(=O)O
Calculated Properties
JChem
Acid pKa
3.4283445
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.15829967
LogD (pH = 7.4)
-1.1685867
Log P
2.0683937
Molar Refractivity
56.7171
Polarizability
21.498636
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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