Molecule

ID:71418

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)8-7-4-5-13(2)9(7)12-6-11-8/h4-6H,3H2,1-2H3
InChIKey
DCXBCKYEFKOSOL-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1ncnc2c1ccn2C
Isomeric Smiles
c12c(n(cc2)C)ncnc1C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.1056511
LogD (pH = 7.4)
1.2829533
Log P
1.2857708
Molar Refractivity
55.06
Polarizability
21.140612
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
No Data Available
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Molecule Details
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References
Bioactivity
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