Molecule

ID:82209

General Information
Structure
MolImage
Molecular Formula
C₁₉H₁₉BrO₄
Molecular Mass
391.25576
Exact Mass
390.04667109
Charge
0
InChI
InChI=1S/C19H19BrO4/c1-3-23-19(21)11-7-14-6-10-17(22-2)18(12-14)24-16-8-4-15(13-20)5-9-16/h4-12H,3,13H2,1-2H3
InChIKey
HLOHLFWBELKCGZ-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)/C=C/c1ccc(c(c1)Oc1ccc(cc1)CBr)OC
Isomeric Smiles
O(c1cc(ccc1OC)/C=C/C(=O)OCC)c1ccc(cc1)CBr
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.987475
LogD (pH = 7.4)
4.987475
Log P
4.987475
Molar Refractivity
98.132
Polarizability
37.45505
Polar Surface Area
44.76
Rotatable Bonds
8
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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