Molecule

ID:94762

General Information
Structure
MolImage
Molecular Formula
C₉H₃BrClF₇O
Molecular Mass
375.4653424
Exact Mass
373.89440194
Charge
0
InChI
InChI=1S/C9H3BrClF7O/c10-3-1-4(11)6(5(12)2-3)19-9(17,18)7(13)8(14,15)16/h1-2,7H
InChIKey
PUFFLGSHGUPXBD-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(F)c(c(c1)Cl)OC(C(C(F)(F)F)F)(F)F
Isomeric Smiles
Brc1cc(c(c(c1)Cl)OC(C(C(F)(F)F)F)(F)F)F
Calculated Properties
JChem
Acid pKa
14.949895
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.395066
LogD (pH = 7.4)
5.3950653
Log P
5.395066
Molar Refractivity
55.4508
Polarizability
21.08941
Polar Surface Area
9.23
Rotatable Bonds
4
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
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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