Molecule

ID:94229

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₅FN₂S
Molecular Mass
298.3778032
Exact Mass
298.09399771
Charge
0
InChI
InChI=1S/C17H15FN2S/c1-11-6-12(2)8-15(7-11)19-17-20-16(10-21-17)13-4-3-5-14(18)9-13/h3-10H,1-2H3,(H,19,20)
InChIKey
ZVOYKVQQGUWBPI-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)c1csc(n1)Nc1cc(C)cc(c1)C
Isomeric Smiles
s1c(nc(c1)c1cc(ccc1)F)Nc1cc(cc(c1)C)C
Calculated Properties
JChem
Acid pKa
13.487883
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.958471
LogD (pH = 7.4)
5.95883
Log P
5.9588346
Molar Refractivity
84.2889
Polarizability
32.955353
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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