Molecule
ID:122679
General Information
Molecular Formula
C₁₀H₈F₃NO₂S
Molecular Mass
263.2362296
Exact Mass
263.02278416
Charge
0
InChI
InChI=1S/C10H8F3NO2S/c11-5-2-1-4(7(12)8(5)13)9-14-6(3-17-9)10(15)16/h1-2,6,9,14H,3H2,(H,15,16)/t6-,9?/m0/s1
InChIKey
OWSQVKZOOHZWPY-AADKRJSRSA-N
Canonic Smiles
OC(=O)[C@@H]1CSC(N1)c1ccc(c(c1F)F)F
Isomeric Smiles
c1(C2N[C@H](C(=O)O)CS2)c(c(c(cc1)F)F)F
Calculated Properties
JChem
Acid pKa
2.0918896
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.2141117
LogD (pH = 7.4)
-1.1888679
Log P
-0.012932882
Molar Refractivity
55.9206
Polarizability
21.410215
Polar Surface Area
49.33
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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