Molecule

ID:52008

General Information
Structure
Molecular Formula
C₆H₁₁NS
Molecular Mass
129.22324
Exact Mass
129.06122036
Charge
0
InChI
InChI=1S/C6H11NS/c1-2-3-4-5-7-6-8/h2-5H2,1H3
InChIKey
SGHJUJBYMSVAJY-UHFFFAOYSA-N
Canonic Smiles
CCCCCN=C=S
Isomeric Smiles
C(CCCC)N=C=S
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.8381178
LogD (pH = 7.4)
2.8381178
Log P
2.8381178
Molar Refractivity
39.8037
Polarizability
15.680772
Polar Surface Area
12.36
Rotatable Bonds
4
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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