Molecule

ID:99210

General Information
Structure
MolImage
Molecular Formula
C₁₀H₂Br₅F₅O₂
Molecular Mass
648.633696
Exact Mass
643.5891804
Charge
0
InChI
InChI=1S/C10H2Br5F5O2/c11-3-1-4(12)6(5(13)2-3)22-7(21)8(16,17)9(14,18)10(15,19)20/h1-2H
InChIKey
NGFNCJHFVBQNMS-UHFFFAOYSA-N
Canonic Smiles
Brc1cc(Br)c(c(c1)Br)OC(=O)C(C(C(Br)(F)F)(Br)F)(F)F
Isomeric Smiles
FC(C(C(C(=O)Oc1c(cc(cc1Br)Br)Br)(F)F)(Br)F)(Br)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
7.0018973
LogD (pH = 7.4)
7.0018973
Log P
7.0018973
Molar Refractivity
85.7834
Polarizability
34.02722
Polar Surface Area
26.3
Rotatable Bonds
5
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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