Molecule

ID:69060

General Information
Structure
MolImage
Molecular Formula
C₇H₆BrFO
Molecular Mass
205.0243432
Exact Mass
203.95860503
Charge
0
InChI
InChI=1S/C7H6BrFO/c8-7-2-1-6(9)3-5(7)4-10/h1-3,10H,4H2
InChIKey
HXGZPMHPSBJMKB-UHFFFAOYSA-N
Canonic Smiles
OCc1cc(F)ccc1Br
Isomeric Smiles
C(O)c1c(ccc(c1)F)Br
Calculated Properties
JChem
Acid pKa
14.628023
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
15.453967
Polar Surface Area
20.23
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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