Molecule

ID:96194

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₄ClF₃O₂
Molecular Mass
342.7400696
Exact Mass
342.06344203
Charge
0
InChI
InChI=1S/C17H14ClF3O2/c18-11-14-4-2-1-3-12(14)9-10-23-16(22)13-5-7-15(8-6-13)17(19,20)21/h1-8H,9-11H2
InChIKey
UTSHVNBWNFODDN-UHFFFAOYSA-N
Canonic Smiles
ClCc1ccccc1CCOC(=O)c1ccc(cc1)C(F)(F)F
Isomeric Smiles
O=C(c1ccc(cc1)C(F)(F)F)OCCc1c(cccc1)CCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.4549475
LogD (pH = 7.4)
5.4549475
Log P
5.4549475
Molar Refractivity
83.2915
Polarizability
30.935154
Polar Surface Area
26.3
Rotatable Bonds
7
Lipinski's Rule of Five
false
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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