Molecule

ID:8128

General Information
Structure
MolImage
Molecular Formula
C₃F₅IO
Molecular Mass
273.927986
Exact Mass
273.89140372
Charge
0
InChI
InChI=1S/C3F5IO/c4-2(5,6)1(10)3(7,8)9
InChIKey
YOHYRGJEKKILDA-UHFFFAOYSA-N
Canonic Smiles
O=C(C(I)(F)F)C(F)(F)F
Isomeric Smiles
O=C(C(F)(F)F)C(F)(F)I
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.7077
LogD (pH = 7.4)
2.7077
Log P
2.7077
Molar Refractivity
31.1899
Polarizability
12.074231
Polar Surface Area
17.07
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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