Molecule

ID:67334

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)7-3-4-9-8(5-7)6-11-12-9/h3-6H,2H2,1H3,(H,11,12)
InChIKey
SKABXDPLIJIWLR-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc2c(c1)cn[nH]2
Isomeric Smiles
[nH]1ncc2cc(ccc12)C(=O)OCC
Calculated Properties
JChem
Acid pKa
11.119208
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6565837
LogD (pH = 7.4)
1.6565117
Log P
1.6565926
Molar Refractivity
52.847
Polarizability
20.899721
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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