Molecule

ID:29784

General Information
Structure
Molecular Formula
C₁₀H₅F₉
Molecular Mass
296.1323288
Exact Mass
296.02475414
Charge
0
InChI
InChI=1S/C10H5F9/c11-8(12,13)4-5-1-2-6(9(14,15)16)3-7(5)10(17,18)19/h1-3H,4H2
InChIKey
IYPFSMLQVWRPFV-UHFFFAOYSA-N
Canonic Smiles
FC(Cc1ccc(cc1C(F)(F)F)C(F)(F)F)(F)F
Isomeric Smiles
c1(c(cc(cc1)C(F)(F)F)C(F)(F)F)CC(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.8770943
LogD (pH = 7.4)
4.8770943
Log P
4.8770943
Molar Refractivity
48.4309
Polarizability
16.71792
Polar Surface Area
0.0
Rotatable Bonds
4
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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