Molecule

ID:6444

General Information
Structure
Molecular Formula
C₉H₁₀F₇I
Molecular Mass
378.0689924
Exact Mass
377.97154586
Charge
0
InChI
InChI=1S/C9H10F7I/c10-7(8(11,12)13,9(14,15)16)5-3-1-2-4-6(5)17/h5-6H,1-4H2
InChIKey
MPDWEHWICQEPCD-UHFFFAOYSA-N
Canonic Smiles
IC1CCCCC1C(C(F)(F)F)(C(F)(F)F)F
Isomeric Smiles
C1CCC(C(C1)I)C(C(F)(F)F)(C(F)(F)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.9019513
LogD (pH = 7.4)
4.9019513
Log P
4.9019513
Molar Refractivity
55.6773
Polarizability
21.301275
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
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Molecule Details
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References
Bioactivity
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