Molecule

ID:6483

General Information
Structure
Molecular Formula
C₃BrF₅O
Molecular Mass
226.927516
Exact Mass
225.90526772
Charge
0
InChI
InChI=1S/C3BrF5O/c4-2(6,1(5)10)3(7,8)9
InChIKey
GHRAJKIIZHDCNR-UHFFFAOYSA-N
Canonic Smiles
FC(=O)C(C(F)(F)F)(Br)F
Isomeric Smiles
O=C(C(C(F)(F)F)(F)Br)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.1463878
LogD (pH = 7.4)
2.1463878
Log P
2.1463878
Molar Refractivity
25.2805
Polarizability
9.76277
Polar Surface Area
17.07
Rotatable Bonds
2
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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