Molecule

ID:123211

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₀N₂O₂
Molecular Mass
202.2093
Exact Mass
202.07422757
Charge
0
InChI
InChI=1S/C11H10N2O2/c1-7(14)6-10-11(15)13-9-5-3-2-4-8(9)12-10/h2-5H,6H2,1H3,(H,13,15)
InChIKey
UVTUSDIBTPDTDI-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Cc1nc2ccccc2[nH]c1=O
Isomeric Smiles
n1c(c(=O)[nH]c2c1cccc2)CC(=O)C
Calculated Properties
JChem
Acid pKa
11.079667
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
1.4507893
LogD (pH = 7.4)
1.45072
Log P
1.4508092
Molar Refractivity
58.8498
Polarizability
20.794575
Polar Surface Area
58.53
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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