Molecule

ID:96151

General Information
Structure
MolImage
Molecular Formula
C₁₅H₁₀Cl₃F₃N₂O
Molecular Mass
397.6069096
Exact Mass
395.98108065
Charge
0
InChI
InChI=1S/C15H10Cl3F3N2O/c1-7-2-8(16)3-12(17)9(7)5-23-14(24)10-6-22-13(18)4-11(10)15(19,20)21/h2-4,6H,5H2,1H3,(H,23,24)
InChIKey
FNOFQMGWVGPBIT-UHFFFAOYSA-N
Canonic Smiles
Clc1ncc(c(c1)C(F)(F)F)C(=O)NCc1c(C)cc(cc1Cl)Cl
Isomeric Smiles
n1cc(c(cc1Cl)C(F)(F)F)C(=O)NCc1c(cc(cc1C)Cl)Cl
Calculated Properties
JChem
Acid pKa
12.908708
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
4.9779434
LogD (pH = 7.4)
4.977943
Log P
4.977944
Molar Refractivity
88.9794
Polarizability
32.532925
Polar Surface Area
41.99
Rotatable Bonds
4
Lipinski's Rule of Five
true
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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