Molecule
ID:65312
General Information
Molecular Formula
C₇H₅FN₂
Molecular Mass
136.1264032
Exact Mass
136.04367639
Charge
0
InChI
InChI=1S/C7H5FN2/c8-6-3-1-2-5-4-9-10-7(5)6/h1-4H,(H,9,10)
InChIKey
FQNFMARSNKXCAF-UHFFFAOYSA-N
Canonic Smiles
Fc1cccc2c1[nH]nc2
Isomeric Smiles
c1cc(c2c(c1)cn[nH]2)F
Calculated Properties
JChem
Acid pKa
8.715185
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.4387137
LogD (pH = 7.4)
1.4189972
Log P
1.4390097
Molar Refractivity
36.2895
Polarizability
14.290383
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
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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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