Molecule

ID:79967

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₁BrO₃
Molecular Mass
319.15004
Exact Mass
317.98915621
Charge
0
InChI
InChI=1S/C15H11BrO3/c16-12-9-14-13(18-6-7-19-14)8-11(12)15(17)10-4-2-1-3-5-10/h1-5,8-9H,6-7H2
InChIKey
FODLURNKDTZRPK-UHFFFAOYSA-N
Canonic Smiles
Brc1cc2OCCOc2cc1C(=O)c1ccccc1
Isomeric Smiles
O1c2c(cc(c(c2)C(=O)c2ccccc2)Br)OCC1
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.714484
LogD (pH = 7.4)
3.714484
Log P
3.714484
Molar Refractivity
75.2137
Polarizability
29.05856
Polar Surface Area
35.53
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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