Molecule

ID:8472

General Information
Structure
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Molecular Formula
C₅H₇NS
Molecular Mass
113.18078
Exact Mass
113.02992023
Charge
0
InChI
InChI=1S/C5H7NS/c1-4-3-7-5(2)6-4/h3H,1-2H3
InChIKey
OBSLLHNATPQFMJ-UHFFFAOYSA-N
Canonic Smiles
Cc1scc(n1)C
Isomeric Smiles
c1(C)nc(sc1)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
0.8828269
LogD (pH = 7.4)
0.8864274
Log P
0.8864735
Molar Refractivity
30.2986
Polarizability
11.626567
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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