Molecule

ID:97769

General Information
Structure
MolImage
Molecular Formula
C₃F₅NO₂
Molecular Mass
177.029616
Exact Mass
176.98491935
Charge
0
InChI
InChI=1S/C3HF5O2.N/c4-2(5,1(9)10)3(6,7)8;/h(H,9,10);/q;+1/p-1
InChIKey
VUMGIKUJNNNAHD-UHFFFAOYSA-M
Canonic Smiles
[O-]C(=O)C(C(F)(F)F)(F)F.[N+]
Isomeric Smiles
O=C(C(F)(C(F)(F)F)F)[O-].[N+]
Calculated Properties
JChem
Acid pKa
1.3684716
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
-1.8229642
LogD (pH = 7.4)
-1.9184777
Log P
1.6096257
Molar Refractivity
29.159
Polarizability
7.016677
Polar Surface Area
40.13
Rotatable Bonds
2
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
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References
Bioactivity
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