Molecule

ID:65882

General Information
Structure
MolImage
Molecular Formula
C₉H₁₀N₄O₂
Molecular Mass
206.2013
Exact Mass
206.08037558
Charge
0
InChI
InChI=1S/C9H10N4O2/c1-2-15-9(14)6-7(10)12-13-5-3-4-11-8(6)13/h3-5H,2H2,1H3,(H2,10,12)
InChIKey
FKBUOZSNISVNHI-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1c(N)nn2c1nccc2
Isomeric Smiles
c12ncccn1nc(c2C(=O)OCC)N
Calculated Properties
JChem
Acid pKa
17.432524
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.4286318
LogD (pH = 7.4)
1.4287871
Log P
1.4287891
Molar Refractivity
65.5614
Polarizability
19.862085
Polar Surface Area
82.51
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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