Molecule

ID:69696

General Information
Structure
MolImage
Molecular Formula
C₈H₆BrFO
Molecular Mass
217.0350432
Exact Mass
215.95860503
Charge
0
InChI
InChI=1S/C8H6BrFO/c1-5-7(9)2-6(4-11)3-8(5)10/h2-4H,1H3
InChIKey
UOZMORAUZYBPSG-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(F)c(c(c1)Br)C
Isomeric Smiles
C(=O)c1cc(c(c(c1)Br)C)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.110624
LogD (pH = 7.4)
3.110624
Log P
3.110624
Molar Refractivity
45.5224
Polarizability
16.642529
Polar Surface Area
17.07
Rotatable Bonds
1
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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