Molecule

ID:70232

General Information
Structure
MolImage
Molecular Formula
C₇H₅NOS
Molecular Mass
151.1857
Exact Mass
151.00918479
Charge
0
InChI
InChI=1S/C7H5NOS/c9-7-8-5-3-1-2-4-6(5)10-7/h1-4H,(H,8,9)
InChIKey
YEDUAINPPJYDJZ-UHFFFAOYSA-N
Canonic Smiles
O=c1sc2c([nH]1)cccc2
Isomeric Smiles
s1c(=O)[nH]c2c1cccc2
Calculated Properties
JChem
Acid pKa
11.267772
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.9895138
LogD (pH = 7.4)
1.9894586
Log P
1.9895145
Molar Refractivity
42.7075
Polarizability
15.706015
Polar Surface Area
29.1
Rotatable Bonds
0
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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