Molecule

ID:41337

General Information
Structure
MolImage
Molecular Formula
C₁₂H₆Cl₂F₃NO₃S
Molecular Mass
372.1471496
Exact Mass
370.93975408
Charge
0
InChI
InChI=1S/C12H6Cl2F3NO3S/c13-10-5-7(12(15,16)17)6-18-11(10)21-8-1-3-9(4-2-8)22(14,19)20/h1-6H
InChIKey
NEQIUPPXYAOTSF-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(cnc1Oc1ccc(cc1)S(=O)(=O)Cl)C(F)(F)F
Isomeric Smiles
c1c(cnc(c1Cl)Oc1ccc(cc1)S(=O)(=O)Cl)C(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.278514
LogD (pH = 7.4)
4.2785144
Log P
4.2785144
Molar Refractivity
75.4281
Polarizability
29.189674
Polar Surface Area
56.26
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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