Molecule

ID:65869

General Information
Structure
MolImage
Molecular Formula
C₇H₅NOS
Molecular Mass
151.1857
Exact Mass
151.00918479
Charge
0
InChI
InChI=1S/C7H5NOS/c9-7-5-2-4-10-6(5)1-3-8-7/h1-4H,(H,8,9)
InChIKey
DUPNPBCUJHMSFZ-UHFFFAOYSA-N
Canonic Smiles
O=c1[nH]ccc2c1ccs2
Isomeric Smiles
c12c(c(=O)[nH]cc1)ccs2
Calculated Properties
JChem
Acid pKa
12.441774
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.2371111
LogD (pH = 7.4)
1.2371076
Log P
1.2371111
Molar Refractivity
40.3257
Polarizability
14.642278
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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