Molecule

ID:15524

General Information
Structure
MolImage
Molecular Formula
C₆H₇IN₂S
Molecular Mass
266.10265
Exact Mass
265.93746723
Charge
0
InChI
InChI=1S/C6H7IN2S/c1-4-3-5(7)9-6(8-4)10-2/h3H,1-2H3
InChIKey
SXADYEHFGYLHDV-UHFFFAOYSA-N
Canonic Smiles
CSc1nc(C)cc(n1)I
Isomeric Smiles
c1(nc(cc(n1)C)I)SC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.4495096
LogD (pH = 7.4)
2.4496393
Log P
2.449641
Molar Refractivity
53.0893
Polarizability
20.529367
Polar Surface Area
25.78
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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