Molecule

ID:109069

General Information
Structure
MolImage
Molecular Formula
C₆H₅BrO₂
Molecular Mass
189.0067
Exact Mass
187.9472914
Charge
0
InChI
InChI=1S/C6H5BrO2/c7-5-3-4(8)1-2-6(5)9/h1-3,8-9H
InChIKey
REFDOIWRJDGBHY-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(c(c1)Br)O
Isomeric Smiles
Oc1ccc(O)c(Br)c1
Calculated Properties
JChem
Acid pKa
8.530406
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
2.1344655
LogD (pH = 7.4)
2.1040194
Log P
2.134868
Molar Refractivity
37.6426
Polarizability
14.492374
Polar Surface Area
40.46
Rotatable Bonds
0
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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