Molecule

ID:100947

General Information
Structure
MolImage
Molecular Formula
C₁₂H₉FO
Molecular Mass
188.1976632
Exact Mass
188.06374313
Charge
0
InChI
InChI=1S/C12H9FO/c1-8(14)9-6-7-12(13)11-5-3-2-4-10(9)11/h2-7H,1H3
InChIKey
GAMOBQXCYKWQLT-UHFFFAOYSA-N
Canonic Smiles
CC(=O)c1ccc(c2c1cccc2)F
Isomeric Smiles
Fc1ccc(c2ccccc12)C(=O)C
Calculated Properties
JChem
Acid pKa
15.949853
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
2.663072
LogD (pH = 7.4)
2.663072
Log P
2.663072
Molar Refractivity
53.1274
Polarizability
21.230381
Polar Surface Area
17.07
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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