Molecule

ID:105296

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₂N₂O₃
Molecular Mass
208.21388
Exact Mass
208.08479225
Charge
0
InChI
InChI=1S/C10H12N2O3/c1-8(13)15-6-5-12-10(14)9-3-2-4-11-7-9/h2-4,7H,5-6H2,1H3,(H,12,14)
InChIKey
JQICNNKLTFYSLS-UHFFFAOYSA-N
Canonic Smiles
CC(=O)OCCNC(=O)c1cccnc1
Isomeric Smiles
CC(=O)OCCNC(=O)c1cccnc1
Calculated Properties
JChem
Acid pKa
13.81552
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-0.4241839
LogD (pH = 7.4)
-0.41915163
Log P
-0.41908684
Molar Refractivity
53.32
Polarizability
20.452047
Polar Surface Area
68.29
Rotatable Bonds
5
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
References
Bioactivity
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