Molecule

ID:96622

General Information
Structure
MolImage
Molecular Formula
C₁₅H₇Cl₂F₃N₂S
Molecular Mass
375.1956896
Exact Mass
373.96590925
Charge
0
InChI
InChI=1S/C15H7Cl2F3N2S/c16-12-5-9(6-13(17)22-12)14-21-11(7-23-14)8-1-3-10(4-2-8)15(18,19)20/h1-7H
InChIKey
UNCMTAUONGQTFT-UHFFFAOYSA-N
Canonic Smiles
FC(c1ccc(cc1)c1csc(n1)c1cc(Cl)nc(c1)Cl)(F)F
Isomeric Smiles
n1c(c2cc(nc(c2)Cl)Cl)scc1c1ccc(cc1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.998466
LogD (pH = 7.4)
5.9985037
Log P
5.998504
Molar Refractivity
96.6812
Polarizability
33.381737
Polar Surface Area
25.78
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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