Molecule

ID:6491

General Information
Structure
MolImage
Molecular Formula
C₄H₂BrF₅O
Molecular Mass
240.954096
Exact Mass
239.92091778
Charge
0
InChI
InChI=1S/C4H2BrF5O/c5-1-2(11)3(6,7)4(8,9)10/h1H2
InChIKey
HHGIRNBWKHUFNA-UHFFFAOYSA-N
Canonic Smiles
BrCC(=O)C(C(F)(F)F)(F)F
Isomeric Smiles
O=C(CBr)C(C(F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
12.167117
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.66209
LogD (pH = 7.4)
2.662083
Log P
2.6620903
Molar Refractivity
29.6097
Polarizability
11.35023
Polar Surface Area
17.07
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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