Molecule

ID:65365

General Information
Structure
MolImage
Molecular Formula
C₆H₉NOS
Molecular Mass
143.20676
Exact Mass
143.04048491
Charge
0
InChI
InChI=1S/C6H9NOS/c9-6-5-2-1-4(8-5)3-7-6/h4-5H,1-3H2,(H,7,9)
InChIKey
HEAWCPGCWNVSHU-UHFFFAOYSA-N
Canonic Smiles
S=C1NCC2OC1CC2
Isomeric Smiles
C1C2CNC(=S)C(C1)O2
Calculated Properties
JChem
Acid pKa
10.355395
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
0.3622024
LogD (pH = 7.4)
0.3617887
Log P
0.41513166
Molar Refractivity
38.7944
Polarizability
15.587392
Polar Surface Area
21.26
Rotatable Bonds
0
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
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References
Bioactivity
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