Molecule

ID:67398

General Information
Structure
MolImage
Molecular Formula
C₇H₅FN₂
Molecular Mass
136.1264032
Exact Mass
136.04367639
Charge
0
InChI
InChI=1S/C7H5FN2/c8-6-2-1-5-4-9-10-7(5)3-6/h1-4H,(H,9,10)
InChIKey
CFMZDEQEVCDMRN-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)[nH]nc2
Isomeric Smiles
[nH]1ncc2ccc(cc12)F
Calculated Properties
JChem
Acid pKa
12.007631
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.4389874
LogD (pH = 7.4)
1.4389989
Log P
1.4390097
Molar Refractivity
36.2895
Polarizability
14.284664
Polar Surface Area
28.68
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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