Molecule

ID:95266

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₉ClF₆N₂O
Molecular Mass
416.7889792
Exact Mass
416.10901024
Charge
0
InChI
InChI=1S/C17H19ClF6N2O/c18-10-15(27)26-6-2-1-3-14(26)4-5-25-13-8-11(16(19,20)21)7-12(9-13)17(22,23)24/h7-9,14,25H,1-6,10H2
InChIKey
WIXQJLQYXONCLG-UHFFFAOYSA-N
Canonic Smiles
ClCC(=O)N1CCCCC1CCNc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Isomeric Smiles
N1(C(CCNc2cc(cc(c2)C(F)(F)F)C(F)(F)F)CCCC1)C(=O)CCl
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.9411383
LogD (pH = 7.4)
3.954523
Log P
3.9546964
Molar Refractivity
91.9203
Polarizability
32.933517
Polar Surface Area
32.34
Rotatable Bonds
7
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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