Molecule

ID:51427

General Information
Structure
MolImage
Molecular Formula
C₈H₄ClF₅
Molecular Mass
230.562376
Exact Mass
229.99216891
Charge
0
InChI
InChI=1S/C8H4ClF5/c9-6-2-1-4(8(12,13)14)3-5(6)7(10)11/h1-3,7H
InChIKey
LOJJRQOHAPHBJX-UHFFFAOYSA-N
Canonic Smiles
FC(c1cc(ccc1Cl)C(F)(F)F)F
Isomeric Smiles
c1(c(cc(cc1)C(F)(F)F)C(F)F)Cl
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.844227
LogD (pH = 7.4)
3.844227
Log P
3.844227
Molar Refractivity
41.9205
Polarizability
15.188773
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
No Data Available
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Molecule Details
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References
Bioactivity
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