Molecule

ID:118441

General Information
Structure
MolImage
Molecular Formula
C₆H₉NOS
Molecular Mass
143.20676
Exact Mass
143.04048491
Charge
0
InChI
InChI=1S/C6H9NOS/c7-3-6(8)5-1-2-9-4-5/h1-2,4,6,8H,3,7H2
InChIKey
RKUNYEOWLVWVAX-UHFFFAOYSA-N
Canonic Smiles
NCC(c1cscc1)O
Isomeric Smiles
c1(cscc1)C(O)CN
Calculated Properties
JChem
Acid pKa
13.861994
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
-2.6698792
LogD (pH = 7.4)
-1.3973147
Log P
0.24912126
Molar Refractivity
37.5997
Polarizability
14.811159
Polar Surface Area
46.25
Rotatable Bonds
2
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
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Molecule Details
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References
Bioactivity
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