Molecule

ID:126095

General Information
Structure
MolImage
Molecular Formula
C₈H₇NS
Molecular Mass
149.21288
Exact Mass
149.02992023
Charge
0
InChI
InChI=1S/C8H7NS/c1-2-4-8-7(3-1)9-5-6-10-8/h1-5H,6H2
InChIKey
FBOSKQVOIHEWAX-UHFFFAOYSA-N
Canonic Smiles
C1=Nc2c(SC1)cccc2
Isomeric Smiles
C1C=Nc2ccccc2S1
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.787131
LogD (pH = 7.4)
1.7978702
Log P
1.7980089
Molar Refractivity
46.8113
Polarizability
17.049093
Polar Surface Area
12.36
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
Molecule Details
References
Bioactivity
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