Molecule

ID:11110

General Information
Structure
MolImage
Molecular Formula
C₆H₇N₅O
Molecular Mass
165.15268
Exact Mass
165.06505987
Charge
0
InChI
InChI=1S/C6H7N5O/c1-3-2-4(12)11-6(8-3)9-5(7)10-11/h2H,1H3,(H3,7,8,9,10)
InChIKey
PQJWDADCCRTLQZ-UHFFFAOYSA-N
Canonic Smiles
Nc1nn2c(n1)[nH]c(cc2=O)C
Isomeric Smiles
n12c(nc(n1)N)[nH]c(cc2=O)C
Calculated Properties
JChem
Acid pKa
10.570103
H Acceptors
5
H Donor
2
LogD (pH = 5.5)
0.065935165
LogD (pH = 7.4)
0.06565985
Log P
0.065938674
Molar Refractivity
46.6865
Polarizability
15.08184
Polar Surface Area
85.83
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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