Molecule

ID:68247

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)8-6-7-4-3-5-11-9(7)12-8/h3-6H,2H2,1H3,(H,11,12)
InChIKey
CBIVEMGUNRNUEB-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cc2c([nH]1)nccc2
Isomeric Smiles
c12c(cccn1)cc([nH]2)C(=O)OCC
Calculated Properties
JChem
Acid pKa
10.782611
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.4665554
LogD (pH = 7.4)
1.5013909
Log P
1.5020834
Molar Refractivity
51.5916
Polarizability
20.246836
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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