Molecule
ID:80557
General Information
Molecular Formula
C₆H₃IN₂S
Molecular Mass
262.07089
Exact Mass
261.90616711
Charge
0
InChI
InChI=1S/C6H3IN2S/c7-4-2-1-3-5-6(4)9-10-8-5/h1-3H
InChIKey
ROPRWVSWECJQIC-UHFFFAOYSA-N
Canonic Smiles
Ic1cccc2c1nsn2
Isomeric Smiles
s1nc2c(n1)cccc2I
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.0458193
LogD (pH = 7.4)
3.0458193
Log P
3.0458193
Molar Refractivity
49.9029
Polarizability
19.995571
Polar Surface Area
25.78
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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