Molecule

ID:98765

General Information
Structure
Molecular Formula
C₅F₁₁I
Molecular Mass
395.9404052
Exact Mass
395.88690842
Charge
0
InChI
InChI=1S/C5F11I/c6-1(3(9,10)11,4(12,13)14)2(7,8)5(15,16)17
InChIKey
UMPRKACBONFPEQ-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(C(F)(F)F)(C(F)(F)F)F)(F)F)(I)F
Isomeric Smiles
IC(F)(F)C(F)(C(C(F)(F)F)(C(F)(F)F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.0095
LogD (pH = 7.4)
4.0095
Log P
4.0095
Molar Refractivity
40.122
Polarizability
15.88114
Polar Surface Area
0.0
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
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Molecule Details
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References
Bioactivity
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