Molecule

ID:97580

General Information
Structure
Molecular Formula
C₅Cl₄F₆
Molecular Mass
315.8559192
Exact Mass
313.86583004
Charge
0
InChI
InChI=1S/C5Cl4F6/c6-1(10)2(7,11)4(9,13)5(14,15)3(1,8)12
InChIKey
SQOAFOCEKCANLU-UHFFFAOYSA-N
Canonic Smiles
FC1(F)C(F)(Cl)C(C(C1(F)Cl)(F)Cl)(F)Cl
Isomeric Smiles
FC1(C(C(F)(C(C1(Cl)F)(Cl)F)Cl)(Cl)F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
5.2369223
LogD (pH = 7.4)
5.2369223
Log P
5.2369223
Molar Refractivity
43.014
Polarizability
16.867563
Polar Surface Area
0.0
Rotatable Bonds
0
Lipinski's Rule of Five
false
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
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References
Bioactivity
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