Molecule

ID:71935

General Information
Structure
MolImage
Molecular Formula
C₆H₇N₅
Molecular Mass
149.15328
Exact Mass
149.07014525
Charge
0
InChI
InChI=1S/C6H7N5/c7-9-5-1-2-6-8-3-4-11(6)10-5/h1-4H,7H2,(H,9,10)
InChIKey
BSOZJUHUDHIRSI-UHFFFAOYSA-N
Canonic Smiles
NNc1ccc2n(n1)ccn2
Isomeric Smiles
c1(ccc2n(n1)ccn2)NN
Calculated Properties
JChem
Acid pKa
19.306358
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
0.6009964
LogD (pH = 7.4)
0.6385728
Log P
0.6390728
Molar Refractivity
53.7938
Polarizability
14.967674
Polar Surface Area
68.24
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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