Molecule

ID:6492

General Information
Structure
MolImage
Molecular Formula
C₄H₅BrF₄O
Molecular Mass
224.9795128
Exact Mass
223.94598966
Charge
0
InChI
InChI=1S/C4H5BrF4O/c5-4(8,9)3(6,7)1-2-10/h10H,1-2H2
InChIKey
RTTCOQHNKANLOS-UHFFFAOYSA-N
Canonic Smiles
OCCC(C(Br)(F)F)(F)F
Isomeric Smiles
C(CC(C(Br)(F)F)(F)F)O
Calculated Properties
JChem
Acid pKa
15.762358
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.7645245
LogD (pH = 7.4)
1.7645245
Log P
1.7645245
Molar Refractivity
30.4745
Polarizability
11.729448
Polar Surface Area
20.23
Rotatable Bonds
3
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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