Molecule

ID:79286

General Information
Structure
MolImage
Molecular Formula
C₇H₆Br₂O
Molecular Mass
265.92994
Exact Mass
263.87853881
Charge
0
InChI
InChI=1S/C7H6Br2O/c8-6-2-1-5(4-10)7(9)3-6/h1-3,10H,4H2
InChIKey
VXEVXBMLHQPKGA-UHFFFAOYSA-N
Canonic Smiles
OCc1ccc(cc1Br)Br
Isomeric Smiles
OCc1c(cc(cc1)Br)Br
Calculated Properties
JChem
Acid pKa
14.755232
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.7434013
LogD (pH = 7.4)
2.7434013
Log P
2.7434013
Molar Refractivity
48.1195
Polarizability
18.681625
Polar Surface Area
20.23
Rotatable Bonds
1
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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