Molecule

ID:85124

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉BrO₂
Molecular Mass
335.23556
Exact Mass
334.05684185
Charge
0
InChI
InChI=1S/C17H19BrO2/c1-19-16-8-4-14(5-9-16)15-6-10-17(11-7-15)20-13-3-2-12-18/h4-11H,2-3,12-13H2,1H3
InChIKey
KWYDPQQRQUDISX-UHFFFAOYSA-N
Canonic Smiles
BrCCCCOc1ccc(cc1)c1ccc(cc1)OC
Isomeric Smiles
BrCCCCOc1ccc(cc1)c1ccc(cc1)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.732436
LogD (pH = 7.4)
4.732436
Log P
4.732436
Molar Refractivity
85.9574
Polarizability
34.37778
Polar Surface Area
18.46
Rotatable Bonds
7
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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