Molecule
ID:56891
General Information
Molecular Formula
C₁₅H₁₁Cl₂FO₃
Molecular Mass
329.1504432
Exact Mass
328.00692779
Charge
0
InChI
InChI=1S/C15H11Cl2FO3/c1-20-14-6-9(15(17)19)3-5-13(14)21-8-10-2-4-11(18)7-12(10)16/h2-7H,8H2,1H3
InChIKey
KFZGGIJIQGMDBI-UHFFFAOYSA-N
Canonic Smiles
COc1cc(ccc1OCc1ccc(cc1Cl)F)C(=O)Cl
Isomeric Smiles
c1cc(cc(c1OCc1ccc(cc1Cl)F)OC)C(=O)Cl
Calculated Properties
JChem
H Acceptors
3
H Donor
0
LogD (pH = 5.5)
4.3200355
LogD (pH = 7.4)
4.3200355
Log P
4.3200355
Molar Refractivity
79.7329
Polarizability
30.360355
Polar Surface Area
35.53
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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