Molecule

ID:26248

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉FN₂S
Molecular Mass
232.2766632
Exact Mass
232.04704752
Charge
0
InChI
InChI=1S/C12H9FN2S/c1-7-11(10(6-14)12(15)16-7)8-2-4-9(13)5-3-8/h2-5H,15H2,1H3
InChIKey
WCNNDHIDZAOFKG-UHFFFAOYSA-N
Canonic Smiles
N#Cc1c(N)sc(c1c1ccc(cc1)F)C
Isomeric Smiles
c1(c(sc(c1c1ccc(cc1)F)C)N)C#N
Calculated Properties
JChem
LogD (pH = 7.4)
3.382642
Log P
3.382642
Molar Refractivity
63.1546
Polarizability
24.305664
Polar Surface Area
49.81
Rotatable Bonds
1
Lipinski's Rule of Five
true
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.382642
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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