Molecule

ID:6469

General Information
Structure
MolImage
Molecular Formula
C₄H₆BrF₃O
Molecular Mass
206.9890496
Exact Mass
205.95541147
Charge
0
InChI
InChI=1S/C4H6BrF3O/c1-2-9-4(7,8)3(5)6/h3H,2H2,1H3
InChIKey
JHNFRVXKGJVWFU-UHFFFAOYSA-N
Canonic Smiles
CCOC(C(Br)F)(F)F
Isomeric Smiles
O(CC)C(C(F)Br)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.8756047
LogD (pH = 7.4)
1.8756047
Log P
1.8756047
Molar Refractivity
30.6217
Polarizability
11.683256
Polar Surface Area
9.23
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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