Molecule

ID:70107

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)8-5-3-4-7-6-11-12-9(7)8/h3-6H,2H2,1H3,(H,11,12)
InChIKey
AZOFSDWPAJNIAZ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cccc2c1[nH]nc2
Isomeric Smiles
[nH]1ncc2cccc(c12)C(=O)OCC
Calculated Properties
JChem
Acid pKa
9.152085
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6564947
LogD (pH = 7.4)
1.6491617
Log P
1.6565926
Molar Refractivity
52.847
Polarizability
20.905937
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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