Molecule

ID:7213

General Information
Structure
MolImage
Molecular Formula
C₈H₈FNO
Molecular Mass
153.1536232
Exact Mass
153.0589921
Charge
0
InChI
InChI=1S/C8H8FNO/c1-5-2-3-6(9)4-7(5)8(10)11/h2-4H,1H3,(H2,10,11)
InChIKey
VPAFHFHYJHZKSR-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(c(c1)C(=O)N)C
Isomeric Smiles
c1(ccc(c(c1)C(=O)N)C)F
Calculated Properties
JChem
Acid pKa
14.179132
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.4800093
LogD (pH = 7.4)
1.4800096
Log P
1.4800094
Molar Refractivity
40.394
Polarizability
14.629445
Polar Surface Area
43.09
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
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Molecule Details
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References
Bioactivity
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