Molecule

ID:65857

General Information
Structure
MolImage
Molecular Formula
C₁₀H₁₀F₃IO
Molecular Mass
330.0854796
Exact Mass
329.9728476
Charge
0
InChI
InChI=1S/C10H10F3IO/c1-9(2)7-5-3-4-6-8(7)14(15-9)10(11,12)13/h3-6H,1-2H3
InChIKey
HVAPLSNCVYXFDQ-UHFFFAOYSA-N
Canonic Smiles
FC([I]1OC(c2c1cccc2)(C)C)(F)F
Isomeric Smiles
c1cccc2c1[I](OC2(C)C)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
Molar Refractivity
59.2493
Polar Surface Area
9.23
Rotatable Bonds
1
Lipinski's Rule of Five
true
LogD (pH = 5.5)
4.5981584
LogD (pH = 7.4)
4.5981584
Log P
4.5981584
Polarizability
23.586313
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
References
Bioactivity
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