Molecule

ID:11801

General Information
Structure
MolImage
Molecular Formula
C₅H₆F₄O₃
Molecular Mass
190.0929528
Exact Mass
190.02530693
Charge
0
InChI
InChI=1S/C5H6F4O3/c1-11-3(10)4(6,12-2)5(7,8)9/h1-2H3
InChIKey
CAWRUEZRLRNISR-UHFFFAOYSA-N
Canonic Smiles
COC(=O)C(C(F)(F)F)(OC)F
Isomeric Smiles
O=C(OC)C(C(F)(F)F)(F)OC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
1.6383153
LogD (pH = 7.4)
1.6383153
Log P
1.6383153
Molar Refractivity
29.2231
Polarizability
11.3237915
Polar Surface Area
35.53
Rotatable Bonds
4
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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