Molecule

ID:100103

General Information
Structure
MolImage
Molecular Formula
C₉H₄F₁₅IO
Molecular Mass
540.007978
Exact Mass
539.90673605
Charge
0
InChI
InChI=1S/C9H4F15IO/c10-3(11,1-2-25)4(12,13)5(14,15)9(23,24)26-6(16,7(17,18)19)8(20,21)22/h1-2H2
InChIKey
PFUMSKSNQXXFNY-UHFFFAOYSA-N
Canonic Smiles
ICCC(C(C(C(OC(C(F)(F)F)(C(F)(F)F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
ICCC(C(C(F)(F)C(OC(F)(C(F)(F)F)C(F)(F)F)(F)F)(F)F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
7.1657887
LogD (pH = 7.4)
7.1657887
Log P
7.1657887
Molar Refractivity
60.2657
Polarizability
23.662853
Polar Surface Area
9.23
Rotatable Bonds
9
Lipinski's Rule of Five
false
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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