Molecule

ID:96391

General Information
Structure
MolImage
Molecular Formula
C₁₆H₆Cl₂F₄O₃
Molecular Mass
393.1166528
Exact Mass
391.96301229
Charge
0
InChI
InChI=1S/C16H6Cl2F4O3/c1-5-9(16(23)25-8-3-2-6(17)4-7(8)18)10-11(19)12(20)13(21)14(22)15(10)24-5/h2-4H,1H3
InChIKey
QKZTYDWXFYHBEA-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)OC(=O)c1c(C)oc2c1c(F)c(F)c(c2F)F
Isomeric Smiles
o1c(c(c2c1c(c(c(c2F)F)F)F)C(=O)Oc1ccc(cc1Cl)Cl)C
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.772263
LogD (pH = 7.4)
5.772263
Log P
5.772263
Molar Refractivity
82.3269
Polarizability
31.536934
Polar Surface Area
39.44
Rotatable Bonds
3
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
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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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