Molecule
ID:122087
General Information
Molecular Formula
C₁₁H₁₀ClFN₂O₂S₂
Molecular Mass
320.7907032
Exact Mass
319.98562547
Charge
0
InChI
InChI=1S/C11H10ClFN2O2S2/c12-7-2-1-6(3-8(7)13)15-10-5-19(16,17)4-9(10)14-11(15)18/h1-3,9-10H,4-5H2,(H,14,18)
InChIKey
KCTMITDFTJLJCY-UHFFFAOYSA-N
Canonic Smiles
SC1=NC2C(N1c1ccc(c(c1)F)Cl)CS(=O)(=O)C2
Isomeric Smiles
S1(=O)(=O)CC2N(C(=NC2C1)S)c1cc(c(cc1)Cl)F
Calculated Properties
JChem
Acid pKa
6.272971
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
1.8994585
LogD (pH = 7.4)
1.0976503
Log P
1.9602505
Molar Refractivity
73.3723
Polarizability
28.923483
Polar Surface Area
49.74
Rotatable Bonds
1
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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