Molecule

ID:97227

General Information
Structure
MolImage
Molecular Formula
C₈H₃Cl₂F₅
Molecular Mass
265.007436
Exact Mass
263.95319656
Charge
0
InChI
InChI=1S/C8H3Cl2F5/c9-2-3-5(10)1-4(8(13,14)15)7(12)6(3)11/h1H,2H2
InChIKey
ZTNUECWBCHSTHA-UHFFFAOYSA-N
Canonic Smiles
ClCc1c(Cl)cc(c(c1F)F)C(F)(F)F
Isomeric Smiles
Fc1c(cc(c(c1F)CCl)Cl)C(F)(F)F
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
4.327785
LogD (pH = 7.4)
4.327785
Log P
4.327785
Molar Refractivity
47.1362
Polarizability
17.11917
Polar Surface Area
0.0
Rotatable Bonds
2
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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