Molecule

ID:95650

General Information
Structure
Molecular Formula
C₁₀H₁₀ClF₃N₄O₃S
Molecular Mass
358.7246096
Exact Mass
358.01142354
Charge
0
InChI
InChI=1S/C10H10ClF3N4O3S/c1-5-8(9(11)18(3)15-5)22(19,20)21-7-4-6(10(12,13)14)16-17(7)2/h4H,1-3H3
InChIKey
ISDUAPKZQJGGBB-UHFFFAOYSA-N
Canonic Smiles
Cn1nc(cc1OS(=O)(=O)c1c(C)nn(c1Cl)C)C(F)(F)F
Isomeric Smiles
S(=O)(=O)(c1c(n(C)nc1C)Cl)Oc1cc(nn1C)C(F)(F)F
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
1.849194
LogD (pH = 7.4)
1.8492069
Log P
1.8492072
Molar Refractivity
92.9996
Polarizability
27.285555
Polar Surface Area
79.01
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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