Molecule

ID:67255

General Information
Structure
MolImage
Molecular Formula
C₂H₅N₅
Molecular Mass
99.0946
Exact Mass
99.05449519
Charge
0
InChI
InChI=1S/C2H5N5/c1-7-5-2(3)4-6-7/h1H3,(H2,3,5)
InChIKey
AZUKLCJYWVMPML-UHFFFAOYSA-N
Canonic Smiles
Cn1nnc(n1)N
Isomeric Smiles
n1n(nnc1N)C
Calculated Properties
JChem
Acid pKa
13.263173
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.29377562
LogD (pH = 7.4)
-0.2937761
Log P
-0.29377553
Molar Refractivity
37.8715
Polarizability
8.414864
Polar Surface Area
69.62
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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