Molecule

ID:99867

General Information
Structure
MolImage
Molecular Formula
C₉H₃F₉
Molecular Mass
282.1057488
Exact Mass
282.00910408
Charge
0
InChI
InChI=1S/C9H3F9/c10-7(11,12)4-1-5(8(13,14)15)3-6(2-4)9(16,17)18/h1-3H
InChIKey
ZMAUHKSOLPYPDB-UHFFFAOYSA-N
Canonic Smiles
FC(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(F)F
Isomeric Smiles
FC(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.6067915
LogD (pH = 7.4)
4.6067915
Log P
4.6067915
Molar Refractivity
43.9791
Polarizability
15.0902195
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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