Molecule

ID:99602

General Information
Structure
MolImage
Molecular Formula
C₇H₆BrFO
Molecular Mass
205.0243432
Exact Mass
203.95860503
Charge
0
InChI
InChI=1S/C7H6BrFO/c8-6-1-2-7(9)5(3-6)4-10/h1-3,10H,4H2
InChIKey
UOSBHJFKMGLWGX-UHFFFAOYSA-N
Canonic Smiles
OCc1cc(Br)ccc1F
Isomeric Smiles
OCc1c(ccc(c1)Br)F
Calculated Properties
JChem
Acid pKa
14.448242
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.1173506
LogD (pH = 7.4)
2.1173506
Log P
2.1173506
Molar Refractivity
40.7131
Polarizability
15.452983
Polar Surface Area
20.23
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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