Molecule

ID:98920

General Information
Structure
MolImage
Molecular Formula
C₈H₅BrF₄O
Molecular Mass
273.0223128
Exact Mass
271.94598966
Charge
0
InChI
InChI=1S/C8H5BrF4O/c9-4-5-2-1-3-6(7(5)10)14-8(11,12)13/h1-3H,4H2
InChIKey
YCLRETLTIMECAI-UHFFFAOYSA-N
Canonic Smiles
BrCc1cccc(c1F)OC(F)(F)F
Isomeric Smiles
BrCc1c(c(ccc1)OC(F)(F)F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.3197966
LogD (pH = 7.4)
4.3197966
Log P
4.3197966
Molar Refractivity
42.1951
Polarizability
17.11681
Polar Surface Area
9.23
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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