Molecule

ID:99536

General Information
Structure
MolImage
Molecular Formula
C₆H₁₀F₃NO₂
Molecular Mass
185.1443096
Exact Mass
185.06636323
Charge
0
InChI
InChI=1S/C6H10F3NO2/c1-2-3-5(10,4(11)12)6(7,8)9/h2-3,10H2,1H3,(H,11,12)
InChIKey
ZXSSTMOVBIXHDN-UHFFFAOYSA-N
Canonic Smiles
CCCC(C(F)(F)F)(C(=O)O)N
Isomeric Smiles
FC(F)(F)C(CCC)(C(=O)O)N
Calculated Properties
JChem
Acid pKa
1.6976237
H Acceptors
3
H Donor
2
LogD (pH = 5.5)
-0.53673697
LogD (pH = 7.4)
-1.902526
Log P
0.024756944
Molar Refractivity
35.0371
Polarizability
13.485793
Polar Surface Area
63.32
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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