Molecule

ID:74765

General Information
Structure
MolImage
Molecular Formula
C₅H₈IN₃O₂S
Molecular Mass
301.10539
Exact Mass
300.93819551
Charge
0
InChI
InChI=1S/C5H8IN3O2S/c1-8(2)12(10,11)9-3-5(6)7-4-9/h3-4H,1-2H3
InChIKey
HSJHNZMKMJPPGU-UHFFFAOYSA-N
Canonic Smiles
Ic1ncn(c1)S(=O)(=O)N(C)C
Isomeric Smiles
n1(S(=O)(=O)N(C)C)cc(nc1)I
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
-0.3795269
LogD (pH = 7.4)
-0.3775715
Log P
-0.37754646
Molar Refractivity
53.5228
Polarizability
21.73842
Polar Surface Area
55.2
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
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References
Bioactivity
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