Molecule

ID:68406

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N₃O₂
Molecular Mass
205.21324
Exact Mass
205.08512661
Charge
0
InChI
InChI=1S/C10H11N3O2/c1-3-15-10(14)7-4-5-9-8(6-7)11-12-13(9)2/h4-6H,3H2,1-2H3
InChIKey
GMCVREKRSCYEPQ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ccc2c(c1)nnn2C
Isomeric Smiles
n1(nnc2c1ccc(c2)C(=O)OCC)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.7852427
LogD (pH = 7.4)
1.7852432
Log P
1.7852432
Molar Refractivity
66.048
Polarizability
21.796951
Polar Surface Area
57.01
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
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Molecule Details
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References
Bioactivity
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