Molecule

ID:100137

General Information
Structure
MolImage
Molecular Formula
C₉H₈FN
Molecular Mass
149.1649232
Exact Mass
149.06407748
Charge
0
InChI
InChI=1S/C9H8FN/c1-6-4-7-2-3-11-9(7)5-8(6)10/h2-5,11H,1H3
InChIKey
RCLYGQSMHKSQCL-UHFFFAOYSA-N
Canonic Smiles
Fc1cc2[nH]ccc2cc1C
Isomeric Smiles
[nH]1c2c(cc(c(c2)F)C)cc1
Calculated Properties
JChem
Acid pKa
16.356953
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
16.950113
Polar Surface Area
15.79
Rotatable Bonds
0
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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