Molecule

ID:94374

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₃BF₃KO
Molecular Mass
256.1141296
Exact Mass
256.06486178
Charge
0
InChI
InChI=1S/C10H13BF3O.K/c1-2-3-8-15-10-6-4-9(5-7-10)11(12,13)14;/h4-7H,2-3,8H2,1H3;/q-1;+1
InChIKey
UEVIEKRZQJRPGE-UHFFFAOYSA-N
Canonic Smiles
F[B-](c1ccc(cc1)OCCCC)(F)F.[K+]
Isomeric Smiles
[B-](c1ccc(cc1)OCCCC)(F)(F)F.[K+]
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.0844
LogD (pH = 7.4)
3.0844
Log P
3.0844
Molar Refractivity
50.315
Polarizability
19.876358
Polar Surface Area
9.23
Rotatable Bonds
5
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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