Molecule

ID:74764

General Information
Structure
MolImage
Molecular Formula
C₅H₇I₂N₃O₂S
Molecular Mass
427.00192
Exact Mass
426.83484348
Charge
0
InChI
InChI=1S/C5H7I2N3O2S/c1-9(2)13(11,12)10-3-8-4(6)5(10)7/h3H,1-2H3
InChIKey
BRCLUKJLHQKEGH-UHFFFAOYSA-N
Canonic Smiles
CN(S(=O)(=O)n1cnc(c1I)I)C
Isomeric Smiles
n1(S(=O)(=O)N(C)C)c(c(nc1)I)I
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.0769218
LogD (pH = 7.4)
1.0771736
Log P
1.0771768
Molar Refractivity
65.1842
Polarizability
27.379286
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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