Molecule

ID:28517

General Information
Structure
MolImage
Molecular Formula
C₆H₇N₅
Molecular Mass
149.15328
Exact Mass
149.07014525
Charge
0
InChI
InChI=1S/C6H7N5/c7-5-3-10-11-6(5)4-1-8-9-2-4/h1-3H,7H2,(H,8,9)(H,10,11)
InChIKey
NZKYXXUWDLQMJK-UHFFFAOYSA-N
Canonic Smiles
Nc1c[nH]nc1c1c[nH]nc1
Isomeric Smiles
c1(c2c[nH]nc2)c(c[nH]n1)N
Calculated Properties
JChem
Acid pKa
12.886202
H Acceptors
3
H Donor
3
LogD (pH = 5.5)
-0.21430695
LogD (pH = 7.4)
-0.21423876
Log P
-0.21423647
Molar Refractivity
42.8974
Polarizability
16.038078
Polar Surface Area
83.38
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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