Molecule

ID:74907

General Information
Structure
MolImage
Molecular Formula
C₇H₁₄BrO₃P
Molecular Mass
257.062021
Exact Mass
255.98639294
Charge
0
InChI
InChI=1S/C7H14BrO3P/c1-3-10-12(9,11-4-2)7-5-6-8/h5,7H,3-4,6H2,1-2H3
InChIKey
YTQMZWCJYREOLX-UHFFFAOYSA-N
Canonic Smiles
CCOP(=O)(/C=C/CBr)OCC
Isomeric Smiles
P(=O)(/C=C/CBr)(OCC)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.7315948
LogD (pH = 7.4)
1.7315948
Log P
1.7315948
Molar Refractivity
53.2795
Polarizability
20.955965
Polar Surface Area
35.53
Rotatable Bonds
6
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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