Molecule

ID:43888

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₅BrO₂
Molecular Mass
307.1824
Exact Mass
306.02554172
Charge
0
InChI
InChI=1S/C15H15BrO2/c16-10-11-17-14-6-8-15(9-7-14)18-12-13-4-2-1-3-5-13/h1-9H,10-12H2
InChIKey
RZVDMCGNBFASBU-UHFFFAOYSA-N
Canonic Smiles
BrCCOc1ccc(cc1)OCc1ccccc1
Isomeric Smiles
O(c1ccc(cc1)OCCBr)Cc1ccccc1
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.2323613
LogD (pH = 7.4)
4.2323613
Log P
4.2323613
Molar Refractivity
75.9238
Polarizability
29.403751
Polar Surface Area
18.46
Rotatable Bonds
6
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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