Molecule

ID:98782

General Information
Structure
MolImage
Molecular Formula
C₉H₆FNO
Molecular Mass
163.1484432
Exact Mass
163.04334204
Charge
0
InChI
InChI=1S/C9H6FNO/c10-8-3-6-1-2-11-9(6)7(4-8)5-12/h1-5,11H
InChIKey
ACKRNKKYYJVPEP-UHFFFAOYSA-N
Canonic Smiles
O=Cc1cc(F)cc2c1[nH]cc2
Isomeric Smiles
[nH]1c2c(cc(cc2cc1)F)C=O
Calculated Properties
JChem
Acid pKa
15.077181
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
1.9272121
LogD (pH = 7.4)
1.9272121
Log P
1.9272121
Molar Refractivity
43.9449
Polarizability
17.076563
Polar Surface Area
32.86
Rotatable Bonds
1
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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