Molecule

ID:38067

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N₅O₃
Molecular Mass
249.22604
Exact Mass
249.08618924
Charge
0
InChI
InChI=1S/C10H11N5O3/c1-2-18-7(16)6-12-9(17)8-13-10-11-4-3-5-15(10)14-8/h3-5H,2,6H2,1H3,(H,12,17)
InChIKey
SPKYSOCIHAIYOA-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CNC(=O)c1nn2c(n1)nccc2
Isomeric Smiles
n1c(nn2c1nccc2)C(=O)NCC(=O)OCC
Calculated Properties
JChem
Acid pKa
12.766003
H Acceptors
5
H Donor
1
LogD (pH = 5.5)
0.061525986
LogD (pH = 7.4)
0.061524305
Log P
0.061526015
Molar Refractivity
72.8432
Polarizability
22.670786
Polar Surface Area
98.48
Rotatable Bonds
5
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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