Molecule

ID:96367

General Information
Structure
MolImage
Molecular Formula
C₁₇H₉ClF₆O
Molecular Mass
378.6961792
Exact Mass
378.02461191
Charge
0
InChI
InChI=1S/C17H9ClF6O/c18-14-4-2-11(3-5-14)15(25)6-1-10-7-12(16(19,20)21)9-13(8-10)17(22,23)24/h1-9H
InChIKey
XVAHEUCWKVLOHU-UHFFFAOYSA-N
Canonic Smiles
Clc1ccc(cc1)C(=O)/C=C/c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Isomeric Smiles
O=C(c1ccc(cc1)Cl)/C=C/c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
Acid pKa
16.594263
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
6.2500668
LogD (pH = 7.4)
6.2500668
Log P
6.2500668
Molar Refractivity
83.6292
Polarizability
29.633564
Polar Surface Area
17.07
Rotatable Bonds
5
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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