Molecule

ID:12433

General Information
Structure
Molecular Formula
C₉H₅FN₂
Molecular Mass
160.1478032
Exact Mass
160.04367639
Charge
0
InChI
InChI=1S/C9H5FN2/c10-8-3-6-1-2-12-9(6)7(4-8)5-11/h1-4,12H
InChIKey
JZPYATWYHRJOAJ-UHFFFAOYSA-N
Canonic Smiles
N#Cc1cc(F)cc2c1[nH]cc2
Isomeric Smiles
[nH]1ccc2cc(cc(c12)C#N)F
Calculated Properties
JChem
Acid pKa
15.049064
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
2.070806
LogD (pH = 7.4)
2.070806
Log P
2.070806
Molar Refractivity
43.0825
Polarizability
17.012934
Polar Surface Area
39.58
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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