Molecule

ID:9765

General Information
Structure
Molecular Formula
C₄H₂F₇I
Molecular Mass
309.9519724
Exact Mass
309.9089456
Charge
0
InChI
InChI=1S/C4H2F7I/c5-2(6,1-12)3(7,8)4(9,10)11/h1H2
InChIKey
AFHPVXVEXINDFS-UHFFFAOYSA-N
Canonic Smiles
ICC(C(C(F)(F)F)(F)F)(F)F
Isomeric Smiles
C(C(C(CI)(F)F)(F)F)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.4235606
LogD (pH = 7.4)
3.4235606
Log P
3.4235606
Molar Refractivity
34.595
Polarizability
13.605795
Polar Surface Area
0.0
Rotatable Bonds
3
Lipinski's Rule of Five
true
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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