Molecule

ID:88455

General Information
Structure
MolImage
Molecular Formula
C₇H₉NOS
Molecular Mass
155.21746
Exact Mass
155.04048491
Charge
0
InChI
InChI=1S/C7H9NOS/c9-3-6-4-10-7(8-6)5-1-2-5/h4-5,9H,1-3H2
InChIKey
VKWKFTDGZIIVGT-UHFFFAOYSA-N
Canonic Smiles
OCc1csc(n1)C1CC1
Isomeric Smiles
n1c(C2CC2)scc1CO
Calculated Properties
JChem
Acid pKa
13.933843
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.8487179
LogD (pH = 7.4)
0.84901774
Log P
0.8490217
Molar Refractivity
39.4
Polarizability
15.3113785
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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