Molecule

ID:98005

General Information
Structure
Molecular Formula
C₄H₇BF₃KO
Molecular Mass
178.0022896
Exact Mass
178.01791158
Charge
0
InChI
InChI=1S/C4H7BF3O.K/c1-2-3-9-4-5(6,7)8;/h2H,1,3-4H2;/q-1;+1
InChIKey
NJYXZRIUMKFRDH-UHFFFAOYSA-N
Canonic Smiles
C=CCOC[B-](F)(F)F.[K+]
Isomeric Smiles
O(CC=C)C[B-](F)(F)F.[K+]
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.4277
LogD (pH = 7.4)
1.4277
Log P
1.4277
Molar Refractivity
25.4031
Polarizability
10.299779
Polar Surface Area
9.23
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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