Molecule

ID:94235

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₅FN₂S
Molecular Mass
298.3778032
Exact Mass
298.09399771
Charge
0
InChI
InChI=1S/C17H15FN2S/c1-11-7-12(2)9-13(8-11)19-17-20-16(10-21-17)14-5-3-4-6-15(14)18/h3-10H,1-2H3,(H,19,20)
InChIKey
JUABLOTXYKSMMS-UHFFFAOYSA-N
Canonic Smiles
Cc1cc(cc(c1)C)Nc1scc(n1)c1ccccc1F
Isomeric Smiles
s1c(nc(c1)c1c(cccc1)F)Nc1cc(cc(c1)C)C
Calculated Properties
JChem
Acid pKa
13.438043
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.9585476
LogD (pH = 7.4)
5.958831
Log P
5.9588346
Molar Refractivity
84.2889
Polarizability
32.962795
Polar Surface Area
24.92
Rotatable Bonds
3
Lipinski's Rule of Five
false
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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