Molecule

ID:92952

General Information
Structure
MolImage
Molecular Formula
C₇H₅NO₂S
Molecular Mass
167.1851
Exact Mass
167.00409941
Charge
0
InChI
InChI=1S/C7H5NO2S/c8-3-6-7-5(4-11-6)9-1-2-10-7/h4H,1-2H2
InChIKey
HSQAPDOVCIFQCU-UHFFFAOYSA-N
Canonic Smiles
N#Cc1scc2c1OCCO2
Isomeric Smiles
N#Cc1c2c(cs1)OCCO2
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
1.255356
LogD (pH = 7.4)
1.255356
Log P
1.255356
Molar Refractivity
39.6269
Polarizability
15.216918
Polar Surface Area
42.25
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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