Molecule
ID:96201
General Information
Molecular Formula
C₈H₈FNO
Molecular Mass
153.1536232
Exact Mass
153.0589921
Charge
0
InChI
InChI=1S/C8H8FNO/c1-5(11)7-4-6(10)2-3-8(7)9/h2-4H,10H2,1H3
InChIKey
WYTBQTMYNBKLHE-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(c(c1)C(=O)C)F
Isomeric Smiles
O=C(c1c(ccc(c1)N)F)C
Calculated Properties
JChem
Acid pKa
15.319126
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
0.8434128
LogD (pH = 7.4)
0.8446535
Log P
0.84466934
Molar Refractivity
41.3776
Polarizability
14.894414
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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