Molecule

ID:26072

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₂ClFO₃
Molecular Mass
294.7053832
Exact Mass
294.04590014
Charge
0
InChI
InChI=1S/C15H12ClFO3/c1-19-15-6-10(8-18)2-5-14(15)20-9-11-3-4-12(17)7-13(11)16/h2-8H,9H2,1H3
InChIKey
MBESALXMWMFICO-UHFFFAOYSA-N
Canonic Smiles
COc1cc(C=O)ccc1OCc1ccc(cc1Cl)F
Isomeric Smiles
c1(c(COc2c(cc(C=O)cc2)OC)ccc(c1)F)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
3.8416255
LogD (pH = 7.4)
3.8416255
Log P
3.8416255
Molar Refractivity
75.2022
Polarizability
28.440647
Polar Surface Area
35.53
Rotatable Bonds
5
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
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Molecule Details
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References
Bioactivity
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