Molecule
ID:82909
General Information
Molecular Formula
C₉H₁₉BrO₃
Molecular Mass
255.14936
Exact Mass
254.05175647
Charge
0
InChI
InChI=1S/C9H19BrO3/c1-5-11-9(8(4)10,12-6-2)13-7-3/h8H,5-7H2,1-4H3
InChIKey
GMWXMYZMODXKMM-UHFFFAOYSA-N
Canonic Smiles
CCOC(C(Br)C)(OCC)OCC
Isomeric Smiles
O(C(C(Br)C)(OCC)OCC)CC
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.001806
LogD (pH = 7.4)
3.001806
Log P
3.001806
Molar Refractivity
56.886
Polarizability
22.194845
Polar Surface Area
27.69
Rotatable Bonds
7
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
No Data Available
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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