Molecule

ID:76003

General Information
Structure
Molecular Formula
C₁₁H₁₀N₂O₂
Molecular Mass
202.2093
Exact Mass
202.07422757
Charge
0
InChI
InChI=1S/C11H10N2O2/c1-13-10(5-6-12-13)8-3-2-4-9(7-8)11(14)15/h2-7H,1H3,(H,14,15)
InChIKey
OBOMYSVFLSMYLV-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1cccc(c1)c1ccnn1C
Isomeric Smiles
n1ccc(n1C)c1cc(ccc1)C(=O)O
Calculated Properties
JChem
Acid pKa
3.969954
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.08353836
LogD (pH = 7.4)
-1.5523936
Log P
1.6259153
Molar Refractivity
67.2313
Polarizability
22.15817
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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