Molecule

ID:97744

General Information
Structure
MolImage
Molecular Formula
C₉H₆F₄
Molecular Mass
190.1375528
Exact Mass
190.04056307
Charge
0
InChI
InChI=1S/C9H6F4/c1-2-6-4-3-5-7(8(6)10)9(11,12)13/h2-5H,1H2
InChIKey
KGUQDQVGARFEJV-UHFFFAOYSA-N
Canonic Smiles
C=Cc1cccc(c1F)C(F)(F)F
Isomeric Smiles
Fc1c(cccc1C(F)(F)F)C=C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.7304983
LogD (pH = 7.4)
3.7304983
Log P
3.7304983
Molar Refractivity
41.9344
Polarizability
14.748946
Polar Surface Area
0.0
Rotatable Bonds
2
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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