Molecule

ID:65302

General Information
Structure
MolImage
Molecular Formula
C₄H₄INS
Molecular Mass
225.05073
Exact Mass
224.91091813
Charge
0
InChI
InChI=1S/C4H4INS/c1-3-2-4(5)7-6-3/h2H,1H3
InChIKey
BKAZKAKFTYEOIA-UHFFFAOYSA-N
Canonic Smiles
Cc1nsc(c1)I
Isomeric Smiles
s1c(cc(n1)C)I
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1688793
LogD (pH = 7.4)
2.1691663
Log P
2.16917
Molar Refractivity
39.1129
Polarizability
15.341041
Polar Surface Area
12.89
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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