Molecule

ID:96850

General Information
Structure
Molecular Formula
C₈H₇FN₂
Molecular Mass
150.1529832
Exact Mass
150.05932645
Charge
0
InChI
InChI=1S/C8H7FN2/c9-8-2-1-6(4-10)3-7(8)5-11/h1-3H,4,10H2
InChIKey
VRSKZZIXPDVEFN-UHFFFAOYSA-N
Canonic Smiles
NCc1ccc(c(c1)C#N)F
Isomeric Smiles
N#Cc1c(ccc(c1)CN)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
-1.8647032
LogD (pH = 7.4)
-0.7637476
Log P
1.0978124
Molar Refractivity
40.4694
Polarizability
15.1842375
Polar Surface Area
49.81
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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