Molecule

ID:62738

General Information
Structure
MolImage
Molecular Formula
C₁₁H₁₇IN₄O₂S
Molecular Mass
396.24775
Exact Mass
396.0116948
Charge
0
InChI
InChI=1S/C11H17IN4O2S/c1-15(2)11-13-7-8(12)10(14-11)9-5-4-6-16(9)19(3,17)18/h7,9H,4-6H2,1-3H3
InChIKey
LGGZTFXOLAQMBM-UHFFFAOYSA-N
Canonic Smiles
Ic1cnc(nc1C1CCCN1S(=O)(=O)C)N(C)C
Isomeric Smiles
S(=O)(=O)(N1C(c2nc(ncc2I)N(C)C)CCC1)C
Calculated Properties
JChem
H Acceptors
5
H Donor
0
LogD (pH = 5.5)
1.1279513
LogD (pH = 7.4)
1.1280639
Log P
1.1280653
Molar Refractivity
83.6384
Polarizability
32.492817
Polar Surface Area
66.4
Rotatable Bonds
2
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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