Molecule

ID:97183

General Information
Structure
Molecular Formula
C₆H₁₀F₃NO₂
Molecular Mass
185.1443096
Exact Mass
185.06636323
Charge
0
InChI
InChI=1S/C6H10F3NO2/c1-2-12-5(11)3-4(10)6(7,8)9/h4H,2-3,10H2,1H3
InChIKey
KGUOZZWGWBBRRF-UHFFFAOYSA-N
Canonic Smiles
CCOC(=O)CC(C(F)(F)F)N
Isomeric Smiles
O(C(=O)CC(C(F)(F)F)N)CC
Calculated Properties
JChem
Acid pKa
18.033964
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.556677
LogD (pH = 7.4)
0.6064298
Log P
0.6071025
Molar Refractivity
35.3408
Polarizability
13.696274
Polar Surface Area
52.32
Rotatable Bonds
5
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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