Molecule

ID:94959

General Information
Structure
MolImage
Molecular Formula
C₈H₆ClF₃O
Molecular Mass
210.5808496
Exact Mass
210.00592715
Charge
0
InChI
InChI=1S/C8H6ClF3O/c9-5-6-2-1-3-7(4-6)13-8(10,11)12/h1-4H,5H2
InChIKey
KUIGSVZJAYCTLN-UHFFFAOYSA-N
Canonic Smiles
ClCc1cccc(c1)OC(F)(F)F
Isomeric Smiles
ClCc1cc(ccc1)OC(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.9915996
LogD (pH = 7.4)
3.9915996
Log P
3.9915996
Molar Refractivity
38.9952
Polarizability
16.016493
Polar Surface Area
9.23
Rotatable Bonds
3
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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