Molecule

ID:18262

General Information
Structure
MolImage
Molecular Formula
C₆H₇N₅O
Molecular Mass
165.15268
Exact Mass
165.06505987
Charge
0
InChI
InChI=1S/C6H7N5O/c1-3-4(7)5(12)6-9-8-2-11(6)10-3/h2,12H,7H2,1H3
InChIKey
VEIVMUXRMDKHMP-UHFFFAOYSA-N
Canonic Smiles
Cc1nn2cnnc2c(c1N)O
Isomeric Smiles
c12c(c(c(nn1cnn2)C)N)O
Calculated Properties
JChem
Acid pKa
9.786297
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
-1.3086364
LogD (pH = 7.4)
-1.3103447
Log P
-1.3086002
Molar Refractivity
55.2626
Polarizability
15.128436
Polar Surface Area
89.33
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
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Molecule Details
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References
Bioactivity
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