Molecule

ID:95460

General Information
Structure
MolImage
Molecular Formula
C₉H₅F₇
Molecular Mass
246.1248224
Exact Mass
246.0279477
Charge
0
InChI
InChI=1S/C9H5F7/c10-7(8(11,12)13,9(14,15)16)6-4-2-1-3-5-6/h1-5H
InChIKey
CHPJUEBSVFTIRX-UHFFFAOYSA-N
Canonic Smiles
FC(C(F)(F)F)(C(F)(F)F)c1ccccc1
Isomeric Smiles
FC(C(c1ccccc1)(C(F)(F)F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.990716
LogD (pH = 7.4)
3.990716
Log P
3.990716
Molar Refractivity
41.6418
Polarizability
14.966581
Polar Surface Area
0.0
Rotatable Bonds
3
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
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References
Bioactivity
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