Molecule

ID:8856

General Information
Structure
MolImage
Molecular Formula
C₇H₇IS
Molecular Mass
250.09995
Exact Mass
249.93131922
Charge
0
InChI
InChI=1S/C7H7IS/c1-9-7-5-3-2-4-6(7)8/h2-5H,1H3
InChIKey
YENHZHSFWAPGIR-UHFFFAOYSA-N
Canonic Smiles
CSc1ccccc1I
Isomeric Smiles
c1c(c(ccc1)SC)I
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.5304074
LogD (pH = 7.4)
3.5304074
Log P
3.5304074
Molar Refractivity
52.1794
Polarizability
20.296198
Polar Surface Area
0.0
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
No Data Available
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Molecule Details
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References
Bioactivity
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