Molecule
ID:100061
General Information
Molecular Formula
C₉H₈FN
Molecular Mass
149.1649232
Exact Mass
149.06407748
Charge
0
InChI
InChI=1S/C9H8FN/c1-6-2-3-8-7(9(6)10)4-5-11-8/h2-5,11H,1H3
InChIKey
FTHQRBRRFDUJBQ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc2c(c1F)cc[nH]2
Isomeric Smiles
[nH]1c2c(c(c(cc2)C)F)cc1
Calculated Properties
JChem
Acid pKa
16.52298
H Acceptors
0
H Donor
1
LogD (pH = 5.5)
2.728131
LogD (pH = 7.4)
2.728131
Log P
2.728131
Molar Refractivity
42.4021
Polarizability
16.954916
Polar Surface Area
15.79
Rotatable Bonds
0
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
No Data Available
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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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