Molecule

ID:95806

General Information
Structure
MolImage
Molecular Formula
C₁₄H₈ClF₆NO
Molecular Mass
355.6628392
Exact Mass
355.01986088
Charge
0
InChI
InChI=1S/C14H8ClF6NO/c15-11-5-9(14(19,20)21)6-22-12(11)7-23-10-3-1-2-8(4-10)13(16,17)18/h1-6H,7H2
InChIKey
JJHNJVDRNSQRPK-UHFFFAOYSA-N
Canonic Smiles
Clc1cc(cnc1COc1cccc(c1)C(F)(F)F)C(F)(F)F
Isomeric Smiles
n1cc(cc(c1COc1cc(ccc1)C(F)(F)F)Cl)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.763577
LogD (pH = 7.4)
4.7635884
Log P
4.763589
Molar Refractivity
71.2069
Polarizability
26.101433
Polar Surface Area
22.12
Rotatable Bonds
5
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
No Data Available
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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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