Molecule

ID:97148

General Information
Structure
Molecular Formula
C₄HCl₃F₆O
Molecular Mass
285.3995592
Exact Mass
283.89971701
Charge
0
InChI
InChI=1S/C4HCl3F6O/c5-2(6,7)1(14,3(8,9)10)4(11,12)13/h14H
InChIKey
AMCTWDASUQVRCQ-UHFFFAOYSA-N
Canonic Smiles
FC(C(C(Cl)(Cl)Cl)(C(F)(F)F)O)(F)F
Isomeric Smiles
OC(C(F)(F)F)(C(F)(F)F)C(Cl)(Cl)Cl
Calculated Properties
JChem
Acid pKa
6.1017337
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.8534408
LogD (pH = 7.4)
1.6392819
Log P
2.9503071
Molar Refractivity
38.6758
Polarizability
14.618155
Polar Surface Area
20.23
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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