Molecule

ID:94784

General Information
Structure
MolImage
Molecular Formula
C₈H₅BrF₂O₂
Molecular Mass
251.0249064
Exact Mass
249.94409784
Charge
0
InChI
InChI=1S/C8H5BrF2O2/c9-6-1-2-7(13-8(10)11)5(3-6)4-12/h1-4,8H
InChIKey
ZBACSCSIFOHNAE-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(Br)ccc1OC(F)F
Isomeric Smiles
O=Cc1c(ccc(c1)Br)OC(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
3.2235878
LogD (pH = 7.4)
3.2235878
Log P
3.2235878
Molar Refractivity
46.7369
Polarizability
17.460657
Polar Surface Area
26.3
Rotatable Bonds
3
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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