Molecule

ID:106688

General Information
Structure
MolImage
Molecular Formula
C₂H₄N₄S
Molecular Mass
116.14496
Exact Mass
116.01566715
Charge
0
InChI
InChI=1S/C2H4N4S/c3-1-7-6-2(4)5/h(H4,4,5,6)
InChIKey
FZPKSSRLAIBRQA-UHFFFAOYSA-N
Canonic Smiles
NC(=N)NSC#N
Isomeric Smiles
NC(=N)NSC#N
Calculated Properties
JChem
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-2.7795687
LogD (pH = 7.4)
-2.3560655
Log P
-0.37341458
Molar Refractivity
50.0007
Polarizability
10.4317465
Polar Surface Area
85.69
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
No Data Available
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Molecule Details
References
Bioactivity
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