Molecule
ID:90371
General Information
Molecular Formula
C₆H₁₁NOS
Molecular Mass
145.22264
Exact Mass
145.05613498
Charge
0
InChI
InChI=1S/C6H11NOS/c7-6(9)5-1-3-8-4-2-5/h5H,1-4H2,(H2,7,9)
InChIKey
ZUONFEFOQCUTDW-UHFFFAOYSA-N
Canonic Smiles
NC(=S)C1CCOCC1
Isomeric Smiles
S=C(C1CCOCC1)N
Calculated Properties
JChem
Acid pKa
12.617232
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.2801837
LogD (pH = 7.4)
0.28018603
Log P
0.28058705
Molar Refractivity
41.2075
Polarizability
16.311974
Polar Surface Area
35.25
Rotatable Bonds
1
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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