Molecule

ID:115486

General Information
Structure
MolImage
Molecular Formula
C₁₀H₉FN₂S
Molecular Mass
208.2552632
Exact Mass
208.04704752
Charge
0
InChI
InChI=1S/C10H9FN2S/c11-9-3-1-8(2-4-9)7-13-6-5-12-10(13)14/h1-6H,7H2,(H,12,14)
InChIKey
AWRNKBMEDXPMIN-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)Cn1ccnc1S
Isomeric Smiles
c1(n(ccn1)Cc1ccc(F)cc1)S
Calculated Properties
JChem
Acid pKa
7.541259
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.5019903
LogD (pH = 7.4)
2.493633
Log P
2.7230842
Molar Refractivity
56.2216
Polarizability
21.220299
Polar Surface Area
17.82
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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