Molecule

ID:65183

General Information
Structure
MolImage
Molecular Formula
C₇H₅FN₂
Molecular Mass
136.1264032
Exact Mass
136.04367639
Charge
0
InChI
InChI=1S/C7H5FN2/c8-6-2-4-10-7-5(6)1-3-9-7/h1-4H,(H,9,10)
InChIKey
YZTWCWYRUCKWDR-UHFFFAOYSA-N
Canonic Smiles
Fc1ccnc2c1cc[nH]2
Isomeric Smiles
c1cnc2[nH]ccc2c1F
Calculated Properties
JChem
Acid pKa
13.689405
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.3567213
LogD (pH = 7.4)
1.3644001
Log P
1.3644993
Molar Refractivity
35.1566
Polarizability
13.640715
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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