Molecule
ID:7369
General Information
Molecular Formula
C₈H₈FNO
Molecular Mass
153.1536232
Exact Mass
153.0589921
Charge
0
InChI
InChI=1S/C8H8FNO/c1-5-4-6(8(10)11)2-3-7(5)9/h2-4H,1H3,(H2,10,11)
InChIKey
JIZAZPRNIWVYAX-UHFFFAOYSA-N
Canonic Smiles
NC(=O)c1ccc(c(c1)C)F
Isomeric Smiles
c1c(c(cc(c1)C(=O)N)C)F
Calculated Properties
JChem
Acid pKa
14.413134
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.4800092
LogD (pH = 7.4)
1.4800094
Log P
1.4800094
Molar Refractivity
40.394
Polarizability
14.629584
Polar Surface Area
43.09
Rotatable Bonds
1
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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