Molecule

ID:9259

General Information
Structure
Molecular Formula
C₁₆H₈F₆O₃
Molecular Mass
362.2233392
Exact Mass
362.03776344
Charge
0
InChI
InChI=1S/C16H8F6O3/c17-15(18,19)11-5-1-9(2-6-11)13(23)25-14(24)10-3-7-12(8-4-10)16(20,21)22/h1-8H
InChIKey
FNAWJOBKLWLHTA-UHFFFAOYSA-N
Canonic Smiles
O=C(c1ccc(cc1)C(F)(F)F)OC(=O)c1ccc(cc1)C(F)(F)F
Isomeric Smiles
c1(ccc(cc1)C(=O)OC(=O)c1ccc(cc1)C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.5515265
LogD (pH = 7.4)
5.5515265
Log P
5.5515265
Molar Refractivity
75.3704
Polarizability
27.019068
Polar Surface Area
43.37
Rotatable Bonds
6
Lipinski's Rule of Five
false
Data Source
Names and Identifiers
Registration numbers
Properties
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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