Molecule

ID:75922

General Information
Structure
MolImage
Molecular Formula
C₆H₅NS
Molecular Mass
123.1756
Exact Mass
123.01427017
Charge
0
InChI
InChI=1S/C6H5NS/c1-5-2-3-6(4-7)8-5/h2-3H,1H3
InChIKey
RBQRZWYCXAXPIN-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(s1)C#N
Isomeric Smiles
s1c(ccc1C#N)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.3880842
LogD (pH = 7.4)
2.3880842
Log P
2.3880842
Molar Refractivity
33.7258
Polarizability
12.591894
Polar Surface Area
23.79
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
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References
Bioactivity
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