Molecule

ID:118819

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀N₂O₂
Molecular Mass
190.1986
Exact Mass
190.07422757
Charge
0
InChI
InChI=1S/C10H10N2O2/c1-2-14-10(13)7-3-4-8-9(5-7)12-6-11-8/h3-6H,2H2,1H3,(H,11,12)
InChIKey
HUOIDCCHUGUZQS-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc2c(c1)nc[nH]2
Isomeric Smiles
n1c2cc(C(=O)OCC)ccc2[nH]c1
Calculated Properties
JChem
Acid pKa
11.497823
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5762968
LogD (pH = 7.4)
1.6191746
Log P
1.6197889
Molar Refractivity
51.7424
Polarizability
20.90709
Polar Surface Area
54.98
Rotatable Bonds
3
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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