Molecule

ID:66591

General Information
Structure
MolImage
Molecular Formula
C₁₀H₇BrO₃
Molecular Mass
255.06478
Exact Mass
253.95785608
Charge
0
InChI
InChI=1S/C10H7BrO3/c1-5-7-3-2-6(12)4-8(7)14-10(13)9(5)11/h2-4,12H,1H3
InChIKey
FVTBEDLKPPVXNH-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc2c(c1)oc(=O)c(c2C)Br
Isomeric Smiles
c1(=O)c(c(c2ccc(cc2o1)O)C)Br
Calculated Properties
JChem
Acid pKa
7.6778197
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
2.6018267
LogD (pH = 7.4)
2.4221823
Log P
2.6046824
Molar Refractivity
55.4208
Polarizability
20.981157
Polar Surface Area
46.53
Rotatable Bonds
0
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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