Molecule

ID:29985

General Information
Structure
MolImage
Molecular Formula
C₉H₅F₇
Molecular Mass
246.1248224
Exact Mass
246.0279477
Charge
0
InChI
InChI=1S/C9H5F7/c10-7-2-1-5(4-8(11,12)13)3-6(7)9(14,15)16/h1-3H,4H2
InChIKey
YSKYCMMBVCKTEY-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1C(F)(F)F)CC(F)(F)F
Isomeric Smiles
c1(c(cc(cc1)CC(F)(F)F)C(F)(F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.1419477
LogD (pH = 7.4)
4.1419477
Log P
4.1419477
Molar Refractivity
42.6736
Polarizability
14.869396
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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