Molecule

ID:99855

General Information
Structure
MolImage
Molecular Formula
C₈H₅F₂N
Molecular Mass
153.1288064
Exact Mass
153.03900561
Charge
0
InChI
InChI=1S/C8H5F2N/c1-5-7(9)3-2-6(4-11)8(5)10/h2-3H,1H3
InChIKey
GNNHZCHETSTMOG-UHFFFAOYSA-N
Canonic Smiles
N#Cc1ccc(c(c1F)C)F
Isomeric Smiles
N#Cc1c(c(c(cc1)F)C)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.6281672
LogD (pH = 7.4)
2.6281672
Log P
2.6281672
Molar Refractivity
37.2536
Polarizability
13.352856
Polar Surface Area
23.79
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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