Molecule

ID:44000

General Information
Structure
MolImage
Molecular Formula
C₆H₃F₂NO₂
Molecular Mass
159.0903264
Exact Mass
159.01318478
Charge
0
InChI
InChI=1S/C6H3F2NO2/c7-3-1-9-2-4(8)5(3)6(10)11/h1-2H,(H,10,11)
InChIKey
DRWDDFVJHGAJTN-UHFFFAOYSA-N
Canonic Smiles
OC(=O)c1c(F)cncc1F
Isomeric Smiles
c1(C(=O)O)c(F)cncc1F
Calculated Properties
JChem
Acid pKa
5.185103
H Acceptors
3
H Donor
1
LogD (pH = 5.5)
0.21240972
LogD (pH = 7.4)
-1.4984231
Log P
0.6985602
Molar Refractivity
31.5901
Polarizability
11.508774
Polar Surface Area
50.19
Rotatable Bonds
1
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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