Molecule

ID:17113

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉FN₂S
Molecular Mass
208.2552632
Exact Mass
208.04704752
Charge
0
InChI
InChI=1S/C10H9FN2S/c11-9-4-2-1-3-7(9)5-8-6-13-10(12)14-8/h1-4,6H,5H2,(H2,12,13)
InChIKey
MJWGGQHOCHEUHY-UHFFFAOYSA-N
Canonic Smiles
Nc1ncc(s1)Cc1ccccc1F
Isomeric Smiles
c1(Cc2sc(nc2)N)c(cccc1)F
Calculated Properties
JChem
Acid pKa
17.370459
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.672618
LogD (pH = 7.4)
2.8513274
Log P
2.854298
Molar Refractivity
55.3318
Polarizability
20.284683
Polar Surface Area
38.91
Rotatable Bonds
2
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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