Molecule

ID:44226

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇BrO₄
Molecular Mass
271.06418
Exact Mass
269.9527707
Charge
0
InChI
InChI=1S/C10H7BrO4/c11-7-4-9-8(14-5-15-9)3-6(7)1-2-10(12)13/h1-4H,5H2,(H,12,13)/b2-1+
InChIKey
FIFYPFARGVBVGX-OWOJBTEDSA-N
Canonic Smiles
OC(=O)/C=C/c1cc2OCOc2cc1Br
Isomeric Smiles
c1c2c(cc(/C=C/C(=O)O)c1Br)OCO2
Calculated Properties
JChem
Acid pKa
2.7145247
H Acceptors
4
H Donor
1
LogD (pH = 5.5)
-0.18611975
LogD (pH = 7.4)
-0.9720927
Log P
2.5280724
Molar Refractivity
56.4496
Polarizability
21.669964
Polar Surface Area
55.76
Rotatable Bonds
2
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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