Molecule

ID:95382

General Information
Structure
MolImage
Molecular Formula
C₁₈H₁₅Cl₂F₄NO₂
Molecular Mass
424.2168128
Exact Mass
423.04159697
Charge
0
InChI
InChI=1S/C18H15Cl2F4NO2/c1-17(2,9-19)16(26)25-14-6-4-11(8-13(14)21)27-15-7-10(18(22,23)24)3-5-12(15)20/h3-8H,9H2,1-2H3,(H,25,26)
InChIKey
UNQCGQWCQZJNGO-UHFFFAOYSA-N
Canonic Smiles
ClCC(C(=O)Nc1ccc(cc1F)Oc1cc(ccc1Cl)C(F)(F)F)(C)C
Isomeric Smiles
N(c1c(cc(cc1)Oc1cc(ccc1Cl)C(F)(F)F)F)C(=O)C(CCl)(C)C
Calculated Properties
JChem
Acid pKa
11.940258
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
6.2091956
LogD (pH = 7.4)
6.2091837
Log P
6.2091956
Molar Refractivity
96.6848
Polarizability
35.77778
Polar Surface Area
38.33
Rotatable Bonds
6
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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