Molecule

ID:101778

General Information
Structure
MolImage
Molecular Formula
C₁₀H₈Br₂O₂
Molecular Mass
319.97732
Exact Mass
317.8891035
Charge
0
InChI
InChI=1S/C10H8Br2O2/c11-5-9(13)8-4-7(12)3-6-1-2-14-10(6)8/h3-4H,1-2,5H2
InChIKey
NPGVDFRSCHXENE-UHFFFAOYSA-N
Canonic Smiles
BrCC(=O)c1cc(Br)cc2c1OCC2
Isomeric Smiles
c1(c2c(cc(c1)Br)CCO2)C(=O)CBr
Calculated Properties
JChem
Acid pKa
14.915885
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
2.9047022
LogD (pH = 7.4)
2.9047022
Log P
2.9047022
Molar Refractivity
61.5931
Polarizability
23.447094
Polar Surface Area
26.3
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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