Molecule

ID:61753

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)8-4-6-12-9-7(8)3-5-11-9/h3-6H,2H2,1H3,(H,11,12)
InChIKey
CKCBQXQNAUHBDX-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccnc2c1cc[nH]2
Isomeric Smiles
c12c(C(=O)OCC)ccnc1[nH]cc2
Calculated Properties
JChem
Acid pKa
14.484755
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.5814213
LogD (pH = 7.4)
1.582074
Log P
1.5820824
Molar Refractivity
51.7141
Polarizability
20.24662
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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