Molecule

ID:93589

General Information
Structure
MolImage
Molecular Formula
C₅H₂F₇IO
Molecular Mass
337.9620724
Exact Mass
337.90386022
Charge
0
InChI
InChI=1S/C5H2F7IO/c6-3(1-2-13,4(7,8)9)14-5(10,11)12/h1-2H
InChIKey
NSLKTPQPESHEBK-UHFFFAOYSA-N
Canonic Smiles
I/C=C/C(C(F)(F)F)(OC(F)(F)F)F
Isomeric Smiles
O(C(C(F)(F)F)(F)/C=C/I)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
4.5954847
LogD (pH = 7.4)
4.5954847
Log P
4.5954847
Molar Refractivity
37.4417
Polarizability
15.832353
Polar Surface Area
9.23
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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