Molecule

ID:92567

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₁BrO₂
Molecular Mass
291.13994
Exact Mass
289.99424159
Charge
0
InChI
InChI=1S/C14H11BrO2/c15-10-13(16)12-8-4-5-9-14(12)17-11-6-2-1-3-7-11/h1-9H,10H2
InChIKey
UWRDQDVDGPRCKR-UHFFFAOYSA-N
Canonic Smiles
BrCC(=O)c1ccccc1Oc1ccccc1
Isomeric Smiles
O(c1ccccc1)c1ccccc1C(=O)CBr
Calculated Properties
JChem
Acid pKa
14.928261
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.7540195
LogD (pH = 7.4)
3.7540195
Log P
3.7540195
Molar Refractivity
70.4383
Polarizability
27.025166
Polar Surface Area
26.3
Rotatable Bonds
4
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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