Molecule

ID:21699

General Information
Structure
MolImage
Molecular Formula
C₅H₃BrO₃
Molecular Mass
190.97952
Exact Mass
189.92655596
Charge
0
InChI
InChI=1S/C5H3BrO3/c6-4-2-1-3(9-4)5(7)8/h1-2H,(H,7,8)
InChIKey
YVTQHZDUDUCGRD-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1ccc(o1)Br
Isomeric Smiles
c1(oc(cc1)Br)C(=O)O
Calculated Properties
JChem
Acid pKa
3.0992138
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.2111799
LogD (pH = 7.4)
-2.3013768
Log P
1.1601834
Molar Refractivity
33.1099
Polarizability
12.84451
Polar Surface Area
50.44
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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