Molecule

ID:98589

General Information
Structure
MolImage
Molecular Formula
C₇H₄F₁₁IO
Molecular Mass
439.9929652
Exact Mass
439.91312317
Charge
0
InChI
InChI=1S/C7H4F11IO/c8-3(6(14,15)16)20-7(17,18)4(9,10)2(1-19)5(11,12)13/h2-3H,1H2
InChIKey
GXDRJQCAQULYJE-UHFFFAOYSA-N
Canonic Smiles
ICC(C(C(OC(C(F)(F)F)F)(F)F)(F)F)C(F)(F)F
Isomeric Smiles
O(C(C(F)(F)F)F)C(F)(F)C(C(CI)C(F)(F)F)(F)F
Calculated Properties
JChem
Acid pKa
18.864973
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.118065
LogD (pH = 7.4)
5.118065
Log P
5.118065
Molar Refractivity
50.9277
Polarizability
19.854757
Polar Surface Area
9.23
Rotatable Bonds
7
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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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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