Molecule

ID:16292

General Information
Structure
MolImage
Molecular Formula
C₈H₅F₂N
Molecular Mass
153.1288064
Exact Mass
153.03900561
Charge
0
InChI
InChI=1S/C8H5F2N/c9-6-3-5-1-2-11-8(5)4-7(6)10/h1-4,11H
InChIKey
YCVSNMPGFSFANR-UHFFFAOYSA-N
Canonic Smiles
Fc1cc2[nH]ccc2cc1F
Isomeric Smiles
[nH]1ccc2cc(c(cc12)F)F
Calculated Properties
JChem
Acid pKa
16.1852
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
2.3574116
LogD (pH = 7.4)
2.3574116
Log P
2.3574116
Molar Refractivity
37.5773
Polarizability
14.84871
Polar Surface Area
15.79
Rotatable Bonds
0
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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