Molecule

ID:9030

General Information
Structure
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Molecular Formula
C₆H₅F₂N
Molecular Mass
129.1074064
Exact Mass
129.03900561
Charge
0
InChI
InChI=1S/C6H5F2N/c7-4-2-1-3-5(9)6(4)8/h1-3H,9H2
InChIKey
YCCQGFYAVUTQFK-UHFFFAOYSA-N
Canonic Smiles
Fc1c(N)cccc1F
Isomeric Smiles
c1cc(c(c(c1)N)F)F
Calculated Properties
JChem
Acid pKa
17.964853
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.4296854
LogD (pH = 7.4)
1.4297233
Log P
1.4297237
Molar Refractivity
31.1912
Polarizability
10.915597
Polar Surface Area
26.02
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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