Molecule

ID:8667

General Information
Structure
MolImage
Molecular Formula
C₅H₅IS
Molecular Mass
224.06267
Exact Mass
223.91566916
Charge
0
InChI
InChI=1S/C5H5IS/c1-4-2-3-5(6)7-4/h2-3H,1H3
InChIKey
NAZNQEXKAPLVKC-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(s1)I
Isomeric Smiles
c1cc(sc1I)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.494489
LogD (pH = 7.4)
3.494489
Log P
3.494489
Molar Refractivity
40.7425
Polarizability
16.076603
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation