Molecule

ID:111518

General Information
Structure
MolImage
Molecular Formula
C₉H₁₅Br₆O₄P
Molecular Mass
697.610761
Exact Mass
691.58081759
Charge
0
InChI
InChI=1S/C9H15Br6O4P/c10-1-7(13)4-17-20(16,18-5-8(14)2-11)19-6-9(15)3-12/h7-9H,1-6H2
InChIKey
PQYJRMFWJJONBO-UHFFFAOYSA-N
Canonic Smiles
BrCC(COP(=O)(OCC(CBr)Br)OCC(CBr)Br)Br
Isomeric Smiles
BrCC(Br)COP(=O)(OCC(Br)CBr)OCC(Br)CBr
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.39299
LogD (pH = 7.4)
5.39299
Log P
5.39299
Molar Refractivity
101.0702
Polarizability
41.158424
Polar Surface Area
44.76
Rotatable Bonds
12
Lipinski's Rule of Five
false
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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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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