Molecule

ID:96150

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄Cl₃F₃N₂O
Molecular Mass
425.6600696
Exact Mass
424.01238078
Charge
0
InChI
InChI=1S/C17H14Cl3F3N2O/c1-2-5-25(9-10-3-4-11(18)6-14(10)19)16(26)12-8-24-15(20)7-13(12)17(21,22)23/h3-4,6-8H,2,5,9H2,1H3
InChIKey
UDNZWIGJPRVQDF-UHFFFAOYSA-N
Canonic Smiles
CCCN(C(=O)c1cnc(cc1C(F)(F)F)Cl)Cc1ccc(cc1Cl)Cl
Isomeric Smiles
N(C(=O)c1cnc(cc1C(F)(F)F)Cl)(Cc1c(cc(cc1)Cl)Cl)CCC
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.5675287
LogD (pH = 7.4)
5.567529
Log P
5.567529
Molar Refractivity
98.1075
Polarizability
36.207817
Polar Surface Area
33.2
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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