Molecule

ID:9625

General Information
Structure
MolImage
Molecular Formula
C₇H₅BrF₂O
Molecular Mass
223.0148064
Exact Mass
221.94918322
Charge
0
InChI
InChI=1S/C7H5BrF2O/c8-5-2-1-3-6(4-5)11-7(9)10/h1-4,7H
InChIKey
NWBDGKNKAFGQQL-UHFFFAOYSA-N
Canonic Smiles
FC(Oc1cccc(c1)Br)F
Isomeric Smiles
c1cc(cc(c1)Br)OC(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.5110855
LogD (pH = 7.4)
3.5110855
Log P
3.5110855
Molar Refractivity
40.1529
Polarizability
15.479304
Polar Surface Area
9.23
Rotatable Bonds
2
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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