Molecule

ID:9028

General Information
Structure
MolImage
Molecular Formula
C₆H₅F₂N
Molecular Mass
129.1074064
Exact Mass
129.03900561
Charge
0
InChI
InChI=1S/C6H5F2N/c7-4-1-2-5(8)6(9)3-4/h1-3H,9H2
InChIKey
YNOOQIUSYGWMSS-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)N)F
Isomeric Smiles
c1(ccc(c(c1)N)F)F
Calculated Properties
JChem
Acid pKa
17.72996
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.4297004
LogD (pH = 7.4)
1.4297234
Log P
1.4297237
Molar Refractivity
31.1912
Polarizability
10.91794
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
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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