Molecule

ID:121377

General Information
Structure
MolImage
Molecular Formula
CH₃N₅
Molecular Mass
85.06802
Exact Mass
85.03884512
Charge
0
InChI
InChI=1S/CH3N5/c2-1-3-5-6-4-1/h(H3,2,3,4,5,6)
InChIKey
ULRPISSMEBPJLN-UHFFFAOYSA-N
Canonic Smiles
Nc1nnn[nH]1
Isomeric Smiles
n1c([nH]nn1)N
Calculated Properties
JChem
Acid pKa
8.66922
H Acceptors
4
H Donor
2
LogD (pH = 5.5)
-0.5177386
LogD (pH = 7.4)
-0.53963876
Log P
-0.5174516
Molar Refractivity
22.6555
Polarizability
6.694303
Polar Surface Area
80.48
Rotatable Bonds
0
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
No Data Available
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Molecule Details
References
Bioactivity
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