Molecule

ID:9703

General Information
Structure
MolImage
Molecular Formula
C₃H₂F₅NO
Molecular Mass
163.046096
Exact Mass
163.00565479
Charge
0
InChI
InChI=1S/C3H2F5NO/c4-2(5,1(9)10)3(6,7)8/h(H2,9,10)
InChIKey
KQTOYEUYHXUEDB-UHFFFAOYSA-N
Canonic Smiles
NC(=O)C(C(F)(F)F)(F)F
Isomeric Smiles
O=C(C(C(F)(F)F)(F)F)N
Calculated Properties
JChem
Acid pKa
5.2206354
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.0027345
LogD (pH = 7.4)
1.0783901
Log P
0.802683
Molar Refractivity
20.1441
Polarizability
7.603076
Polar Surface Area
43.09
Rotatable Bonds
2
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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