Molecule

ID:92200

General Information
Structure
MolImage
Molecular Formula
C₈H₆INS
Molecular Mass
275.10941
Exact Mass
274.9265682
Charge
0
InChI
InChI=1S/C8H6INS/c1-5-10-7-3-2-6(9)4-8(7)11-5/h2-4H,1H3
InChIKey
YVXGKAZJAUWMPM-UHFFFAOYSA-N
Canonic Smiles
Ic1ccc2c(c1)sc(n2)C
Isomeric Smiles
n1c(sc2c1ccc(c2)I)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.1644087
LogD (pH = 7.4)
3.1654675
Log P
3.165481
Molar Refractivity
54.9319
Polarizability
22.46384
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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