Molecule
ID:51901
General Information
Molecular Formula
C₉H₁₀FNO
Molecular Mass
167.1802032
Exact Mass
167.07464217
Charge
0
InChI
InChI=1S/C9H10FNO/c1-6-5-8(10)3-4-9(6)11-7(2)12/h3-5H,1-2H3,(H,11,12)
InChIKey
RJKWSTDTEPBWBJ-UHFFFAOYSA-N
Canonic Smiles
CC(=O)Nc1ccc(cc1C)F
Isomeric Smiles
N(c1c(cc(cc1)F)C)C(=O)C
Calculated Properties
JChem
Acid pKa
14.819448
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.8670795
LogD (pH = 7.4)
1.8670795
Log P
1.8670795
Molar Refractivity
46.1786
Polarizability
16.652815
Polar Surface Area
29.1
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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