Molecule
ID:122092
General Information
Molecular Formula
C₁₂H₁₀ClF₃N₂O₂S₂
Molecular Mass
370.7982096
Exact Mass
369.98243191
Charge
0
InChI
InChI=1S/C12H10ClF3N2O2S2/c13-7-2-1-6(12(14,15)16)3-9(7)18-10-5-22(19,20)4-8(10)17-11(18)21/h1-3,8,10H,4-5H2,(H,17,21)
InChIKey
JGYQYBHOWKHPDR-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccc(c(c1)N1C2CS(=O)(=O)CC2N=C1S)Cl)(F)F
Isomeric Smiles
N1(C(=NC2C1CS(=O)(=O)C2)S)c1cc(C(F)(F)F)ccc1Cl
Calculated Properties
JChem
Acid pKa
6.184313
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
2.62066
LogD (pH = 7.4)
1.7934462
Log P
2.6953971
Molar Refractivity
79.1296
Polarizability
30.45693
Polar Surface Area
49.74
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
No Data Available
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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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