Molecule

ID:76578

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/h2-7,12H,1H3
InChIKey
RWBBDSAYSNJJHM-UHFFFAOYSA-N
Canonic Smiles
O=Cc1c(C)[nH]n(c1=O)c1ccccc1
Isomeric Smiles
n1(c2ccccc2)[nH]c(c(c1=O)C=O)C
Calculated Properties
JChem
Acid pKa
4.8511915
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.07104959
LogD (pH = 7.4)
-0.5001377
Log P
0.7055046
Molar Refractivity
67.2839
Polarizability
20.975044
Polar Surface Area
49.41
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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