Molecule

ID:124920

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₂
Molecular Mass
202.2093
Exact Mass
202.07422757
Charge
0
InChI
InChI=1S/C11H10N2O2/c1-7-9(11(14)15)10(13-12-7)8-5-3-2-4-6-8/h2-6H,1H3,(H,12,13)(H,14,15)
InChIKey
HLBNXQFYFKZFOB-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1c(C)[nH]nc1c1ccccc1
Isomeric Smiles
c1(c(n[nH]c1C)c1ccccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.3470688
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.6683304
LogD (pH = 7.4)
-1.8161361
Log P
1.2767686
Molar Refractivity
56.6068
Polarizability
22.173407
Polar Surface Area
65.98
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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