Molecule

ID:94228

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀F₂N₂S
Molecular Mass
288.3151064
Exact Mass
288.05327577
Charge
0
InChI
InChI=1S/C15H10F2N2S/c16-11-4-1-3-10(7-11)14-9-20-15(19-14)18-13-6-2-5-12(17)8-13/h1-9H,(H,18,19)
InChIKey
XDDHWUQGOKWIQV-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1)Nc1scc(n1)c1cccc(c1)F
Isomeric Smiles
s1c(nc(c1)c1cc(ccc1)F)Nc1cc(ccc1)F
Calculated Properties
JChem
Acid pKa
12.600517
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
5.0743337
LogD (pH = 7.4)
5.0746865
Log P
5.074694
Molar Refractivity
74.4229
Polarizability
29.090816
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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