Molecule

ID:64632

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)9-5-7-6-11-4-3-8(7)12-9/h3-6,12H,2H2,1H3
InChIKey
AMDUQHCPGUSRQS-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc2c([nH]1)ccnc2
Isomeric Smiles
c1ncc2c(c1)[nH]c(c2)C(=O)OCC
Calculated Properties
JChem
Acid pKa
9.731716
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.16433282
LogD (pH = 7.4)
0.6419679
Log P
1.0407001
Molar Refractivity
51.639
Polarizability
20.91252
Polar Surface Area
54.98
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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