Molecule

ID:7749

General Information
Structure
Molecular Formula
C₈H₈FNO
Molecular Mass
153.1536232
Exact Mass
153.0589921
Charge
0
InChI
InChI=1S/C8H8FNO/c1-6(11)10-8-4-2-3-7(9)5-8/h2-5H,1H3,(H,10,11)
InChIKey
AQLLDCFUQXGLHM-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1cccc(c1)F
Isomeric Smiles
C(=O)(Nc1cccc(c1)F)C
Calculated Properties
JChem
Acid pKa
13.802478
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.3536581
LogD (pH = 7.4)
1.353658
Log P
1.3536581
Molar Refractivity
41.1374
Polarizability
14.896766
Polar Surface Area
29.1
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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