Molecule

ID:118292

General Information
Structure
MolImage
Molecular Formula
C₂H₅N₅
Molecular Mass
99.0946
Exact Mass
99.05449519
Charge
0
InChI
InChI=1S/C2H5N5/c3-1-2-4-6-7-5-2/h1,3H2,(H,4,5,6,7)
InChIKey
ZHCLIFKUVIFYBY-UHFFFAOYSA-N
Canonic Smiles
NCc1n[nH]nn1
Isomeric Smiles
n1n[nH]nc1CN
Calculated Properties
JChem
Acid pKa
6.0882444
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-2.6494582
LogD (pH = 7.4)
-2.0924523
Log P
-2.0672007
Molar Refractivity
25.9932
Polarizability
8.838183
Polar Surface Area
80.48
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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