Molecule

ID:17244

General Information
Structure
MolImage
Molecular Formula
C₁₃H₉FO
Molecular Mass
200.2083632
Exact Mass
200.06374313
Charge
0
InChI
InChI=1S/C13H9FO/c14-13-3-1-2-12(8-13)11-6-4-10(9-15)5-7-11/h1-9H
InChIKey
GUECWHQTSREAMT-UHFFFAOYSA-N
Canonic Smiles
O=Cc1ccc(cc1)c1cccc(c1)F
Isomeric Smiles
c1(c2ccc(cc2)C=O)cc(ccc1)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.4756753
LogD (pH = 7.4)
3.4756753
Log P
3.4756753
Molar Refractivity
57.9946
Polarizability
22.83301
Polar Surface Area
17.07
Rotatable Bonds
2
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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