Molecule

ID:98409

General Information
Structure
Molecular Formula
C₉H₁₀FNO
Molecular Mass
167.1802032
Exact Mass
167.07464217
Charge
0
InChI
InChI=1S/C9H10FNO/c1-7(12)11-6-8-2-4-9(10)5-3-8/h2-5H,6H2,1H3,(H,11,12)
InChIKey
IHNHPSHMZGCDCL-UHFFFAOYSA-N
Canonic Smiles
CC(=O)NCc1ccc(cc1)F
Isomeric Smiles
N(C(=O)C)Cc1ccc(cc1)F
Calculated Properties
JChem
Acid pKa
14.585897
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.0605627
LogD (pH = 7.4)
1.0605627
Log P
1.0605628
Molar Refractivity
44.1916
Polarizability
16.734476
Polar Surface Area
29.1
Rotatable Bonds
2
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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