Molecule

ID:28516

General Information
Structure
MolImage
Molecular Formula
C₆H₇N₅
Molecular Mass
149.15328
Exact Mass
149.07014525
Charge
0
InChI
InChI=1S/C6H7N5/c7-5-1-10-11(4-5)6-2-8-9-3-6/h1-4H,7H2,(H,8,9)
InChIKey
HNXSDOBNTDWQSA-UHFFFAOYSA-N
Canonic Smiles
Nc1cnn(c1)c1c[nH]nc1
Isomeric Smiles
n1(c2c[nH]nc2)ncc(c1)N
Calculated Properties
JChem
Acid pKa
16.30632
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.4657154
LogD (pH = 7.4)
-0.46567813
Log P
-0.46567765
Molar Refractivity
42.8075
Polarizability
15.3615265
Polar Surface Area
72.52
Rotatable Bonds
1
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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