Molecule
ID:93377
General Information
Molecular Formula
C₈H₈FNO
Molecular Mass
153.1536232
Exact Mass
153.0589921
Charge
0
InChI
InChI=1S/C8H8FNO/c1-6(10-11)7-2-4-8(9)5-3-7/h2-5,11H,1H3
InChIKey
YPFOSEYKSLTSSF-UHFFFAOYSA-N
Canonic Smiles
O/N=C(/c1ccc(cc1)F)\C
Isomeric Smiles
N(=C(\c1ccc(cc1)F)/C)/O
Calculated Properties
JChem
Acid pKa
8.168663
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
1.6820757
LogD (pH = 7.4)
1.6150699
Log P
1.6830751
Molar Refractivity
40.4989
Polarizability
15.095249
Polar Surface Area
32.59
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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