Molecule

ID:29914

General Information
Structure
MolImage
Molecular Formula
C₁₁H₆F₄
Molecular Mass
214.1589528
Exact Mass
214.04056307
Charge
0
InChI
InChI=1S/C11H6F4/c12-10-6-5-9(11(13,14)15)7-3-1-2-4-8(7)10/h1-6H
InChIKey
BCGWWFQBBDMGGD-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c2c1cccc2)C(F)(F)F
Isomeric Smiles
c1(ccc(c2ccccc12)C(F)(F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.983273
LogD (pH = 7.4)
3.983273
Log P
3.983273
Molar Refractivity
48.6983
Polarizability
18.540499
Polar Surface Area
0.0
Rotatable Bonds
1
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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