Molecule

ID:74124

General Information
Structure
Molecular Formula
C₇H₄INS
Molecular Mass
261.08283
Exact Mass
260.91091813
Charge
0
InChI
InChI=1S/C7H4INS/c8-6-1-3-7(4-2-6)9-5-10/h1-4H
InChIKey
SNLGBRZZFRSXHA-UHFFFAOYSA-N
Canonic Smiles
S=C=Nc1ccc(cc1)I
Isomeric Smiles
Ic1ccc(cc1)N=C=S
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.924014
LogD (pH = 7.4)
3.9240155
Log P
3.9240155
Molar Refractivity
56.4834
Polarizability
21.09476
Polar Surface Area
12.36
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
References
Bioactivity
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