Molecule

ID:89586

General Information
Structure
Molecular Formula
C₁₄H₁₁BrO₂
Molecular Mass
291.13994
Exact Mass
289.99424159
Charge
0
InChI
InChI=1S/C14H11BrO2/c1-17-14(16)12-4-2-3-11(9-12)10-5-7-13(15)8-6-10/h2-9H,1H3
InChIKey
UTOKFKAMZICCBU-UHFFFAOYSA-N
Canonic Smiles
COC(=O)c1cccc(c1)c1ccc(cc1)Br
Isomeric Smiles
Brc1ccc(cc1)c1cccc(c1)C(=O)OC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.3927007
LogD (pH = 7.4)
4.3927007
Log P
4.3927007
Molar Refractivity
70.8423
Polarizability
28.36043
Polar Surface Area
26.3
Rotatable Bonds
3
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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