Molecule

ID:11938

General Information
Structure
MolImage
Molecular Formula
C₁₃H₇FO
Molecular Mass
198.1924832
Exact Mass
198.04809306
Charge
0
InChI
InChI=1S/C13H7FO/c14-8-5-6-10-9-3-1-2-4-11(9)13(15)12(10)7-8/h1-7H
InChIKey
CNCFLCLXJBPMIR-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc2c(c1)C(=O)c1c2cccc1
Isomeric Smiles
c12c3c(C(=O)c1cccc2)cc(cc3)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.2492805
LogD (pH = 7.4)
3.2492805
Log P
3.2492805
Molar Refractivity
55.9281
Polarizability
22.264208
Polar Surface Area
17.07
Rotatable Bonds
0
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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