Molecule

ID:6595

General Information
Structure
MolImage
Molecular Formula
C₇H₅BrF₂O
Molecular Mass
223.0148064
Exact Mass
221.94918322
Charge
0
InChI
InChI=1S/C7H5BrF2O/c1-11-7-5(8)2-4(9)3-6(7)10/h2-3H,1H3
InChIKey
MFXWQGHKLXJIIP-UHFFFAOYSA-N
Canonic Smiles
COc1c(F)cc(cc1Br)F
Isomeric Smiles
c1c(cc(c(c1F)OC)Br)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.869731
LogD (pH = 7.4)
2.869731
Log P
2.869731
Molar Refractivity
40.5768
Polarizability
15.429101
Polar Surface Area
9.23
Rotatable Bonds
1
Lipinski's Rule of Five
true
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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