Molecule

ID:107915

General Information
Structure
MolImage
Molecular Formula
C₇H₇N₅O₂
Molecular Mass
193.16278
Exact Mass
193.05997449
Charge
0
InChI
InChI=1S/C7H7N5O2/c1-2-5(13)10-4-3(9-2)6(14)12-7(8)11-4/h1H3,(H4,8,10,11,12,13,14)
InChIKey
DYXQYFTUVSIKIG-UHFFFAOYSA-N
Canonic Smiles
Nc1nc(O)c2c(n1)nc(c(n2)C)O
Isomeric Smiles
Cc1nc2c(O)nc(N)nc2nc1O
Calculated Properties
JChem
Acid pKa
10.031011
H Acceptors
7
H Donor
3
LogD (pH = 5.5)
0.26358062
LogD (pH = 7.4)
0.26342958
Log P
0.2635872
Molar Refractivity
49.5142
Polarizability
17.826962
Polar Surface Area
118.04
Rotatable Bonds
0
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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