Molecule

ID:64957

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N₃O₂
Molecular Mass
205.21324
Exact Mass
205.08512661
Charge
0
InChI
InChI=1S/C10H11N3O2/c1-2-15-10(14)7-6-13-8(11)4-3-5-9(13)12-7/h3-6H,2,11H2,1H3
InChIKey
SDHJUHBOHSJBEH-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cn2c(n1)cccc2N
Isomeric Smiles
c1ccc2n(c1N)cc(n2)C(=O)OCC
Calculated Properties
JChem
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.55063486
LogD (pH = 7.4)
0.56585205
Log P
0.5660497
Molar Refractivity
56.292
Polarizability
20.727322
Polar Surface Area
69.62
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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