Molecule

ID:55907

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₂
Molecular Mass
202.2093
Exact Mass
202.07422757
Charge
0
InChI
InChI=1S/C11H10N2O2/c1-8-10(7-14)11(15)13(12-8)9-5-3-2-4-6-9/h2-7,15H,1H3
InChIKey
CAABWYILLVOLJI-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(C)nn(c1O)c1ccccc1
Isomeric Smiles
n1(c(c(c(n1)C)C=O)O)c1ccccc1
Calculated Properties
JChem
Acid pKa
5.5329123
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
2.0658722
LogD (pH = 7.4)
0.98297995
Log P
2.3386626
Molar Refractivity
56.8294
Polarizability
21.670454
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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