Molecule

ID:85677

General Information
Structure
MolImage
Molecular Formula
C₇H₅NOS
Molecular Mass
151.1857
Exact Mass
151.00918479
Charge
0
InChI
InChI=1S/C7H5NOS/c10-7-8-5-3-1-2-4-6(5)9-7/h1-4H,(H,8,10)
InChIKey
FLFWJIBUZQARMD-UHFFFAOYSA-N
Canonic Smiles
Sc1nc2c(o1)cccc2
Isomeric Smiles
n1c(oc2c1cccc2)S
Calculated Properties
JChem
Acid pKa
7.2037334
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.0891368
LogD (pH = 7.4)
1.7120154
Log P
2.0973227
Molar Refractivity
40.2062
Polarizability
16.909256
Polar Surface Area
26.03
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
References
Bioactivity
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