Molecule

ID:9029

General Information
Structure
MolImage
Molecular Formula
C₆H₅F₂N
Molecular Mass
129.1074064
Exact Mass
129.03900561
Charge
0
InChI
InChI=1S/C6H5F2N/c7-4-2-1-3-5(8)6(4)9/h1-3H,9H2
InChIKey
ODUZJBKKYBQIBX-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc(c1N)F
Isomeric Smiles
c1ccc(c(c1F)N)F
Calculated Properties
JChem
Acid pKa
14.753695
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.4297171
LogD (pH = 7.4)
1.4297236
Log P
1.4297237
Molar Refractivity
31.1912
Polarizability
10.91861
Polar Surface Area
26.02
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
Click here to submit data
Molecular Spectra
No Data Available
Click here to submit data
Molecule Details
References
Bioactivity
Navigation