Molecule

ID:54343

General Information
Structure
Molecular Formula
C₅H₇NS
Molecular Mass
113.18078
Exact Mass
113.02992023
Charge
0
InChI
InChI=1S/C5H7NS/c6-3-5-1-2-7-4-5/h1-2,4H,3,6H2
InChIKey
DUDAKCCDHRNMDJ-UHFFFAOYSA-N
Canonic Smiles
NCc1cscc1
Isomeric Smiles
s1cc(CN)cc1
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
-2.0563734
LogD (pH = 7.4)
-0.8400715
Log P
0.8794562
Molar Refractivity
31.6372
Polarizability
12.338585
Polar Surface Area
26.02
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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