Molecule
ID:59071
General Information
Molecular Formula
C₈H₇FN₂
Molecular Mass
150.1529832
Exact Mass
150.05932645
Charge
0
InChI
InChI=1S/C8H7FN2/c9-8-3-1-7(2-4-8)5-11-6-10/h1-4,11H,5H2
InChIKey
RURIUFPRSUBTIL-UHFFFAOYSA-N
Canonic Smiles
N#CNCc1ccc(cc1)F
Isomeric Smiles
C(#N)NCc1ccc(F)cc1
Calculated Properties
JChem
Acid pKa
10.668475
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.654813
LogD (pH = 7.4)
1.654813
Log P
1.654813
Molar Refractivity
40.4813
Polarizability
14.666443
Polar Surface Area
35.82
Rotatable Bonds
2
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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