Molecule

ID:97528

General Information
Structure
Molecular Formula
C₅BrF₉O₃
Molecular Mass
358.9413288
Exact Mass
357.88870984
Charge
0
InChI
InChI=1S/C5BrF9O3/c6-1(16)2(7,8)17-3(9,10)4(11,12)18-5(13,14)15
InChIKey
UWPGPNWCEFPFJC-UHFFFAOYSA-N
Canonic Smiles
BrC(=O)C(OC(C(OC(F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
O(C(F)(F)C(F)(F)OC(C(=O)Br)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.676517
LogD (pH = 7.4)
4.676517
Log P
4.676517
Molar Refractivity
35.0506
Polarizability
15.256218
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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