Molecule

ID:105194

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₁N₅O₄
Molecular Mass
265.22544
Exact Mass
265.08110386
Charge
0
InChI
InChI=1S/C10H11N5O4/c1-4-6(16)7(17)10(18-4)19-15-3-14-5-8(11)12-2-13-9(5)15/h2-3,6-7,10,16-17H,1H2,(H2,11,12,13)
InChIKey
NJWCNYOOUNSXHX-UHFFFAOYSA-N
Canonic Smiles
C=C1OC(C(C1O)O)On1cnc2c1ncnc2N
Isomeric Smiles
Nc1ncnc2c1ncn2OC1OC(=C)C(O)C1O
Calculated Properties
JChem
Acid pKa
12.124385
H Acceptors
8
H Donor
3
LogD (pH = 5.5)
-1.8007566
LogD (pH = 7.4)
-1.7590115
Log P
-1.7584435
Molar Refractivity
64.7567
Polarizability
24.35584
Polar Surface Area
128.54
Rotatable Bonds
2
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
References
Bioactivity
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