Molecule

ID:68911

General Information
Structure
MolImage
Molecular Formula
C₇H₄ClF₃O₂
Molecular Mass
212.5536696
Exact Mass
211.98519171
Charge
0
InChI
InChI=1S/C7H4ClF3O2/c8-5-3-4(12)1-2-6(5)13-7(9,10)11/h1-3,12H
InChIKey
ZDKAPCMMTRJKTR-UHFFFAOYSA-N
Canonic Smiles
Oc1ccc(c(c1)Cl)OC(F)(F)F
Isomeric Smiles
c1(cc(c(cc1)OC(F)(F)F)Cl)O
Calculated Properties
JChem
Acid pKa
8.968847
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.7046902
LogD (pH = 7.4)
3.6933424
Log P
3.7048368
Molar Refractivity
35.914
Polarizability
15.039282
Polar Surface Area
29.46
Rotatable Bonds
2
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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