Molecule

ID:101698

General Information
Structure
MolImage
Molecular Formula
C₁₁H₆ClF₃N₂O₃S
Molecular Mass
338.6901496
Exact Mass
337.9739754
Charge
0
InChI
InChI=1S/C11H6ClF3N2O3S/c12-21(18,19)8-3-1-7(2-4-8)20-10-16-6-5-9(17-10)11(13,14)15/h1-6H
InChIKey
SMDWXDCIMUGFNP-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccnc(n1)Oc1ccc(cc1)S(=O)(=O)Cl)(F)F
Isomeric Smiles
S(=O)(=O)(c1ccc(Oc2nc(C(F)(F)F)ccn2)cc1)Cl
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.43881
LogD (pH = 7.4)
3.4388106
Log P
3.4388106
Molar Refractivity
68.705
Polarizability
26.391693
Polar Surface Area
69.15
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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