Molecule

ID:104178

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃N₅O₃
Molecular Mass
251.24192
Exact Mass
251.1018393
Charge
0
InChI
InChI=1S/C10H13N5O3/c11-8-7-9(13-3-12-8)15(4-14-7)10-6(17)1-5(2-16)18-10/h3-6,10,16-17H,1-2H2,(H2,11,12,13)
InChIKey
OFEZSBMBBKLLBJ-UHFFFAOYSA-N
Canonic Smiles
OCC1CC(C(O1)n1cnc2c1ncnc2N)O
Isomeric Smiles
Nc1ncnc2c1ncn2C1OC(CO)CC1O
Calculated Properties
JChem
Acid pKa
13.527495
H Acceptors
7
H Donor
3
LogD (pH = 5.5)
-1.5466892
LogD (pH = 7.4)
-1.4028795
Log P
-1.4006692
Molar Refractivity
62.0985
Polarizability
23.860285
Polar Surface Area
119.31
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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