Molecule

ID:92281

General Information
Structure
MolImage
Molecular Formula
C₃H₃BrO₃
Molecular Mass
166.95812
Exact Mass
165.92655596
Charge
0
InChI
InChI=1S/C3H3BrO3/c4-1-2(5)3(6)7/h1H2,(H,6,7)
InChIKey
PRRZDZJYSJLDBS-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(=O)CBr
Isomeric Smiles
BrCC(=O)C(=O)O
Calculated Properties
JChem
Acid pKa
1.7912446
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
-2.5205314
LogD (pH = 7.4)
-2.7371578
Log P
0.78871304
Molar Refractivity
25.7264
Polarizability
10.159609
Polar Surface Area
54.37
Rotatable Bonds
2
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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