Molecule

ID:7963

General Information
Structure
Molecular Formula
C₁₃H₉FO
Molecular Mass
200.2083632
Exact Mass
200.06374313
Charge
0
InChI
InChI=1S/C13H9FO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H
InChIKey
OGTSHGYHILFRHD-UHFFFAOYSA-N
Canonic Smiles
Fc1ccc(cc1)C(=O)c1ccccc1
Isomeric Smiles
c1c(ccc(c1)C(=O)c1ccccc1)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
3.5753007
LogD (pH = 7.4)
3.5753007
Log P
3.5753007
Molar Refractivity
56.8499
Polarizability
21.622406
Polar Surface Area
17.07
Rotatable Bonds
2
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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