Molecule

ID:64350

General Information
Structure
MolImage
Molecular Formula
C₇H₁₁NOS
Molecular Mass
157.23334
Exact Mass
157.05613498
Charge
0
InChI
InChI=1S/C7H11NOS/c1-5(2)7-8-6(3-9)4-10-7/h4-5,9H,3H2,1-2H3
InChIKey
DRSAHDPLRNPPMJ-UHFFFAOYSA-N
Canonic Smiles
OCc1csc(n1)C(C)C
Isomeric Smiles
n1c(scc1CO)C(C)C
Calculated Properties
JChem
Acid pKa
13.93633
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.3124105
LogD (pH = 7.4)
1.3127432
Log P
1.3127476
Molar Refractivity
41.2022
Polarizability
16.02516
Polar Surface Area
33.12
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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