Molecule

ID:99610

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀F₃NO₂
Molecular Mass
185.1443096
Exact Mass
185.06636323
Charge
0
InChI
InChI=1S/C6H10F3NO2/c1-3(6(7,8)9)2-4(10)5(11)12/h3-4H,2,10H2,1H3,(H,11,12)
InChIKey
XFGVJLGVINCWDP-UHFFFAOYSA-N
Canonic Smiles
OC(=O)C(CC(C(F)(F)F)C)N
Isomeric Smiles
FC(C(C)CC(C(=O)O)N)(F)F
Calculated Properties
JChem
Acid pKa
1.822972
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-1.309855
LogD (pH = 7.4)
-1.3129239
Log P
-1.30989
Molar Refractivity
35.0288
Polarizability
13.485201
Polar Surface Area
63.32
Rotatable Bonds
4
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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