Molecule

ID:44268

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₂F₂N₂OS
Molecular Mass
294.3196864
Exact Mass
294.06384045
Charge
0
InChI
InChI=1S/C14H12F2N2OS/c15-9-1-6-12(16)13(7-9)18-14(19)8-20-11-4-2-10(17)3-5-11/h1-7H,8,17H2,(H,18,19)
InChIKey
SUDTXKHIZDQENI-UHFFFAOYSA-N
Canonic Smiles
O=C(Nc1cc(F)ccc1F)CSc1ccc(cc1)N
Isomeric Smiles
c1(NC(=O)CSc2ccc(N)cc2)cc(ccc1F)F
Calculated Properties
JChem
Acid pKa
11.412878
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.6391473
LogD (pH = 7.4)
2.658598
Log P
2.6588922
Molar Refractivity
78.4596
Polarizability
28.360277
Polar Surface Area
55.12
Rotatable Bonds
4
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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