Molecule

ID:74906

General Information
Structure
MolImage
Molecular Formula
C₆H₁₄BrO₃P
Molecular Mass
245.051321
Exact Mass
243.98639294
Charge
0
InChI
InChI=1S/C6H14BrO3P/c1-3-9-11(8,6-5-7)10-4-2/h3-6H2,1-2H3
InChIKey
PINITSMLVXAASM-UHFFFAOYSA-N
Canonic Smiles
BrCCP(=O)(OCC)OCC
Isomeric Smiles
P(=O)(OCC)(OCC)CCBr
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.3247354
LogD (pH = 7.4)
1.3247354
Log P
1.3247354
Molar Refractivity
48.0904
Polarizability
19.417126
Polar Surface Area
35.53
Rotatable Bonds
6
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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