Molecule

ID:40049

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇FN₂S
Molecular Mass
206.2393832
Exact Mass
206.03139745
Charge
0
InChI
InChI=1S/C10H7FN2S/c11-8-3-1-7(2-4-8)9-5-6-12-10(14)13-9/h1-6H,(H,12,13,14)
InChIKey
IKNROSDVLWITKJ-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)c1ccnc(n1)S
Isomeric Smiles
n1c(nccc1c1ccc(cc1)F)S
Calculated Properties
JChem
Acid pKa
9.067772
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.9973772
LogD (pH = 7.4)
2.9886217
Log P
2.9975064
Molar Refractivity
55.6587
Polarizability
22.207317
Polar Surface Area
25.78
Rotatable Bonds
1
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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