Molecule

ID:56972

General Information
Structure
Molecular Formula
C₁₄H₈Cl₃FO₂
Molecular Mass
333.5695232
Exact Mass
331.95739076
Charge
0
InChI
InChI=1S/C14H8Cl3FO2/c15-8-4-5-13(9(6-8)14(17)19)20-7-10-11(16)2-1-3-12(10)18/h1-6H,7H2
InChIKey
PQDSVQWTDQXPLI-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)C(=O)Cl)OCc1c(F)cccc1Cl
Isomeric Smiles
c1(cc(c(cc1)OCc1c(cccc1Cl)F)C(=O)Cl)Cl
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.0817513
LogD (pH = 7.4)
5.0817513
Log P
5.0817513
Molar Refractivity
78.0745
Polarizability
29.748842
Polar Surface Area
26.3
Rotatable Bonds
4
Lipinski's Rule of Five
false
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
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References
Bioactivity
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