Molecule

ID:98624

General Information
Structure
MolImage
Molecular Formula
C₅H₁₀BF₃KN
Molecular Mass
191.0441096
Exact Mass
191.04954607
Charge
0
InChI
InChI=1S/C5H10BF3N.K/c7-6(8,9)5-10-3-1-2-4-10;/h1-5H2;/q-1;+1
InChIKey
IPPVCGNMEPSDMN-UHFFFAOYSA-N
Canonic Smiles
F[B-](CN1CCCC1)(F)F.[K+]
Isomeric Smiles
[B-](F)(F)(CN1CCCC1)F.[K+]
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
1.1260173
LogD (pH = 7.4)
1.1562012
Log P
1.1566
Molar Refractivity
30.757
Polarizability
12.375458
Polar Surface Area
3.24
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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