Molecule

ID:56893

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂ClFO₃
Molecular Mass
294.7053832
Exact Mass
294.04590014
Charge
0
InChI
InChI=1S/C15H12ClFO3/c1-19-13-4-2-3-12(15(16)18)14(13)20-9-10-5-7-11(17)8-6-10/h2-8H,9H2,1H3
InChIKey
PFIDLGHDOJMGRE-UHFFFAOYSA-N
Canonic Smiles
COc1cccc(c1OCc1ccc(cc1)F)C(=O)Cl
Isomeric Smiles
c1cc(c(c(c1)OC)OCc1ccc(cc1)F)C(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.7159908
LogD (pH = 7.4)
3.7159908
Log P
3.7159908
Molar Refractivity
74.9281
Polarizability
28.42054
Polar Surface Area
35.53
Rotatable Bonds
5
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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