Molecule

ID:8666

General Information
Structure
MolImage
Molecular Formula
C₈H₁₁BF₄O
Molecular Mass
209.9769528
Exact Mass
210.08390825
Charge
0
InChI
InChI=1S/C8H11O.BF4/c1-6-4-7(2)9-8(3)5-6;2-1(3,4)5/h4-5H,1-3H3;/q+1;-1
InChIKey
PYOPRIFMELCENN-UHFFFAOYSA-N
Canonic Smiles
F[B-](F)(F)F.Cc1cc(C)[o+]c(c1)C
Isomeric Smiles
c1c([o+]c(cc1C)C)C.F[B-](F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6245
LogD (pH = 7.4)
2.6245
Log P
2.6245
Molar Refractivity
57.1164
Polarizability
14.128783
Polar Surface Area
13.14
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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