Molecule

ID:97012

General Information
Structure
MolImage
Molecular Formula
C₅H₃BCl₂F₅N
Molecular Mass
253.793036
Exact Mass
252.96557596
Charge
0
InChI
InChI=1S/C5H3Cl2FN.BF4/c6-4-2-1-3-5(7)9(4)8;2-1(3,4)5/h1-3H;/q+1;-1
InChIKey
JVYBYXWHPIEUOT-UHFFFAOYSA-N
Canonic Smiles
F[B-](F)(F)F.F[n+]1c(Cl)cccc1Cl
Isomeric Smiles
[n+]1(c(cccc1Cl)Cl)F.[B-](F)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
-0.916995
LogD (pH = 7.4)
-0.916995
Log P
-0.916995
Molar Refractivity
36.8836
Polarizability
13.579012
Polar Surface Area
3.88
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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