Molecule

ID:97029

General Information
Structure
Molecular Formula
C₃H₅F₂NO
Molecular Mass
109.0747064
Exact Mass
109.03392023
Charge
0
InChI
InChI=1S/C3H5F2NO/c1-2(6-7)3(4)5/h3,7H,1H3
InChIKey
VNWVMFRXDOXYPP-UHFFFAOYSA-N
Canonic Smiles
FC(/C(=N/O)/C)F
Isomeric Smiles
N(=C(\C)/C(F)F)\O
Calculated Properties
JChem
Acid pKa
3.242872
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.500016
LogD (pH = 7.4)
-1.8393209
Log P
0.53043354
Molar Refractivity
20.1553
Polarizability
7.483014
Polar Surface Area
32.59
Rotatable Bonds
1
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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