Molecule

ID:8473

General Information
Structure
MolImage
Molecular Formula
C₅H₇NS
Molecular Mass
113.18078
Exact Mass
113.02992023
Charge
0
InChI
InChI=1S/C5H7NS/c1-4-5(2)7-3-6-4/h3H,1-2H3
InChIKey
UWSONZCNXUSTKW-UHFFFAOYSA-N
Canonic Smiles
Cc1scnc1C
Isomeric Smiles
c1(c(ncs1)C)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.407115
LogD (pH = 7.4)
1.4092423
Log P
1.4092696
Molar Refractivity
30.9142
Polarizability
11.627906
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
No Data Available
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Molecule Details
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References
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Bioactivity
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