Molecule

ID:82507

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃IO₄S₃
Molecular Mass
420.30729
Exact Mass
419.9020699
Charge
0
InChI
InChI=1S/C10H13IO4S3/c1-5(2)18(13,14)8-6(11)7(9(12)15-3)17-10(8)16-4/h5H,1-4H3
InChIKey
JJVTWHIJTPKSOT-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1sc(c(c1I)S(=O)(=O)C(C)C)SC
Isomeric Smiles
S(=O)(=O)(c1c(sc(c1I)C(=O)OC)SC)C(C)C
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.5308318
LogD (pH = 7.4)
3.5308318
Log P
3.5308318
Molar Refractivity
83.2595
Polarizability
33.47089
Polar Surface Area
60.44
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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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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