Molecule
ID:52231
General Information
Molecular Formula
C₅H₉NOS
Molecular Mass
131.19606
Exact Mass
131.04048491
Charge
0
InChI
InChI=1S/C5H9NOS/c6-2-1-4-8-5-3-7/h7H,1,3-5H2
InChIKey
LNJCGNRKWOHFFV-UHFFFAOYSA-N
Canonic Smiles
OCCSCCC#N
Isomeric Smiles
C(#N)CCSCCO
Calculated Properties
JChem
Acid pKa
15.546165
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-0.05704099
LogD (pH = 7.4)
-0.05704099
Log P
-0.05704099
Molar Refractivity
35.1997
Polarizability
13.479422
Polar Surface Area
44.02
Rotatable Bonds
4
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
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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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