Molecule

ID:81909

General Information
Structure
MolImage
Molecular Formula
C₂H₉IN₄S
Molecular Mass
248.08913
Exact Mass
247.95926531
Charge
0
InChI
InChI=1S/C2H8N4S.HI/c1-7-2(5-3)6-4;/h3-4H2,1H3,(H,5,6);1H
InChIKey
XLRAKUURQVHNPJ-UHFFFAOYSA-N
Canonic Smiles
CS/C(=N/N)/NN.I
Isomeric Smiles
I.N/N=C(/SC)\NN
Calculated Properties
JChem
H Acceptors
4
H Donor
3
LogD (pH = 5.5)
-1.2517588
LogD (pH = 7.4)
-0.18105628
Log P
-0.11465756
Molar Refractivity
44.0254
Polarizability
12.239649
Polar Surface Area
76.43
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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