Molecule

ID:16876

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉FN₂S
Molecular Mass
208.2552632
Exact Mass
208.04704752
Charge
0
InChI
InChI=1S/C10H9FN2S/c1-6-4-7(2-3-8(6)11)9-5-14-10(12)13-9/h2-5H,1H3,(H2,12,13)
InChIKey
XJPFIMKKTVFXIN-UHFFFAOYSA-N
Canonic Smiles
Nc1scc(n1)c1ccc(c(c1)C)F
Isomeric Smiles
c1(c2nc(sc2)N)cc(c(cc1)F)C
Calculated Properties
JChem
Acid pKa
16.70627
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.1609995
LogD (pH = 7.4)
3.176362
Log P
3.1765616
Molar Refractivity
55.4619
Polarizability
21.594803
Polar Surface Area
38.91
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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