Molecule

ID:50828

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)6-5-12-13-7(10)3-4-11-8(6)13/h3-5H,2,10H2,1H3
InChIKey
YSYFACLHRFMDES-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)c1cnn2c1nccc2N
Isomeric Smiles
n12c(c(cn1)C(=O)OCC)nccc2N
Calculated Properties
JChem
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
0.27351344
LogD (pH = 7.4)
0.27362123
Log P
0.2736226
Molar Refractivity
64.5012
Polarizability
19.8677
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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