Molecule

ID:96124

General Information
Structure
MolImage
Molecular Formula
C₂₀H₁₀Cl₂F₁₃NO
Molecular Mass
598.1847416
Exact Mass
596.99318617
Charge
0
InChI
InChI=1S/C20H10Cl2F13NO/c21-10-6-5-9(13(22)7-10)8-36-14(37)11-3-1-2-4-12(11)15(23,24)16(25,26)17(27,28)18(29,30)19(31,32)20(33,34)35/h1-7H,8H2,(H,36,37)
InChIKey
RXLNVDRVPBKXLG-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(c(c1)Cl)CNC(=O)c1ccccc1C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
Isomeric Smiles
N(C(=O)c1c(cccc1)C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)Cc1c(cc(cc1)Cl)Cl
Calculated Properties
JChem
Acid pKa
14.301806
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
8.361186
LogD (pH = 7.4)
8.361187
Log P
8.361187
Molar Refractivity
103.569
Polarizability
38.00036
Polar Surface Area
29.1
Rotatable Bonds
9
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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