Molecule
ID:95125
General Information
Molecular Formula
C₇H₅FN₂
Molecular Mass
136.1264032
Exact Mass
136.04367639
Charge
0
InChI
InChI=1S/C7H5FN2/c8-5-2-1-3-6-7(5)10-4-9-6/h1-4H,(H,9,10)
InChIKey
QUQMWOHZXVXIBI-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc2c1nc[nH]2
Isomeric Smiles
n1c[nH]c2c1c(ccc2)F
Calculated Properties
JChem
Acid pKa
12.078259
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.3638707
LogD (pH = 7.4)
1.4016876
Log P
1.402206
Molar Refractivity
35.1849
Polarizability
14.295703
Polar Surface Area
28.68
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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