Molecule

ID:97381

General Information
Structure
MolImage
Molecular Formula
C₄H₂F₇NO
Molecular Mass
213.0536024
Exact Mass
213.00246123
Charge
0
InChI
InChI=1S/C4H2F7NO/c5-2(6,1(12)13)3(7,8)4(9,10)11/h(H2,12,13)
InChIKey
FOBJABJCODOMEO-UHFFFAOYSA-N
Canonic Smiles
NC(=O)C(C(C(F)(F)F)(F)F)(F)F
Isomeric Smiles
FC(F)(C(F)(F)C(C(=O)N)(F)F)F
Calculated Properties
JChem
Acid pKa
4.498447
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.7614132
LogD (pH = 7.4)
1.7801245
Log P
1.5033257
Molar Refractivity
24.8121
Polarizability
9.5092125
Polar Surface Area
43.09
Rotatable Bonds
3
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
References
Bioactivity
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