Molecule

ID:29971

General Information
Structure
Molecular Formula
C₇H₂ClF₅
Molecular Mass
216.535796
Exact Mass
215.97651884
Charge
0
InChI
InChI=1S/C7H2ClF5/c8-5-4(9)2-1-3(6(5)10)7(11,12)13/h1-2H
InChIKey
CYFUOBOYBXLKCT-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1Cl)F)C(F)(F)F
Isomeric Smiles
C(c1c(c(c(cc1)F)Cl)F)(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.740543
LogD (pH = 7.4)
3.740543
Log P
3.740543
Molar Refractivity
37.2693
Polarizability
13.450399
Polar Surface Area
0.0
Rotatable Bonds
1
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
No Data Available
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Molecule Details
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References
Bioactivity
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