Molecule

ID:10595

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀BrF₂O₃P
Molecular Mass
267.0056674
Exact Mass
265.95189925
Charge
0
InChI
InChI=1S/C5H10BrF2O3P/c1-3-10-12(9,11-4-2)5(6,7)8/h3-4H2,1-2H3
InChIKey
QRADKVYIJIAENZ-UHFFFAOYSA-N
Canonic Smiles
CCOP(=O)(C(Br)(F)F)OCC
Isomeric Smiles
O=P(OCC)(C(Br)(F)F)OCC
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7351935
LogD (pH = 7.4)
2.7351935
Log P
2.7351935
Molar Refractivity
43.7335
Polarizability
17.617662
Polar Surface Area
35.53
Rotatable Bonds
5
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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