Molecule
ID:99367
General Information
Molecular Formula
C₇H₆FNO
Molecular Mass
139.1270432
Exact Mass
139.04334204
Charge
0
InChI
InChI=1S/C7H6FNO/c1-5(10)6-3-2-4-9-7(6)8/h2-4H,1H3
InChIKey
KEEHTCBOJCVCNO-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1cccnc1F
Isomeric Smiles
n1c(c(ccc1)C(=O)C)F
Calculated Properties
JChem
Acid pKa
14.74584
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
0.8498535
LogD (pH = 7.4)
0.8498535
Log P
0.8498535
Molar Refractivity
35.535
Polarizability
12.886181
Polar Surface Area
29.96
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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