Molecule

ID:87258

General Information
Structure
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Molecular Formula
C₅H₅NS
Molecular Mass
111.1649
Exact Mass
111.01427017
Charge
0
InChI
InChI=1S/C5H5NS/c7-5-1-3-6-4-2-5/h1-4H,(H,6,7)
InChIKey
FHTDDANQIMVWKZ-UHFFFAOYSA-N
Canonic Smiles
Sc1ccncc1
Isomeric Smiles
n1ccc(cc1)S
Calculated Properties
JChem
Acid pKa
5.742236
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.6354427
LogD (pH = 7.4)
-0.39152563
Log P
0.7146327
Molar Refractivity
31.9109
Polarizability
12.472271
Polar Surface Area
12.89
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
No Data Available
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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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