Molecule

ID:70484

General Information
Structure
MolImage
Molecular Formula
C₄H₆N₄
Molecular Mass
110.11724
Exact Mass
110.05924621
Charge
0
InChI
InChI=1S/C4H6N4/c5-3-1-2-7-4(6)8-3/h1-2H,(H4,5,6,7,8)
InChIKey
YAAWASYJIRZXSZ-UHFFFAOYSA-N
Canonic Smiles
Nc1ccnc(n1)N
Isomeric Smiles
c1(nc(ccn1)N)N
Calculated Properties
JChem
LogD (pH = 7.4)
-0.70
LogD (pH = 5.5)
-1.71
Log P
-0.33
Rotatable Bonds
0
H Donor
2
H Acceptors
4
Lipinski's Rule of Five
true
Acid pKa
7.55
Polar Surface Area
77.82
Polarizability
10.55
Molar Refractivity
32.38
LOG S
-0.95
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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