Molecule
ID:75071
General Information
Molecular Formula
C₆H₁₁NS
Molecular Mass
129.22324
Exact Mass
129.06122036
Charge
0
InChI
InChI=1S/C6H11NS/c1-3-4-6(2)8-5-7/h6H,3-4H2,1-2H3
InChIKey
GVXHMJVSAWJUMW-UHFFFAOYSA-N
Canonic Smiles
CC(SC#N)CCC
Isomeric Smiles
S(C(C)CCC)C#N
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.4256802
LogD (pH = 7.4)
2.4256802
Log P
2.4256802
Molar Refractivity
38.389
Polarizability
14.728286
Polar Surface Area
23.79
Rotatable Bonds
3
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
No Data Available
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Related Proteins
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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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