Molecule

ID:95307

General Information
Structure
Molecular Formula
C₁₆H₉ClF₆O₂
Molecular Mass
382.6848792
Exact Mass
382.01952653
Charge
0
InChI
InChI=1S/C16H9ClF6O2/c17-8-9-1-3-10(4-2-9)14(24)25-13-6-11(15(18,19)20)5-12(7-13)16(21,22)23/h1-7H,8H2
InChIKey
GFRLSZQYPWXVHV-UHFFFAOYSA-N
Canonic Smiles
ClCc1ccc(cc1)C(=O)Oc1cc(cc(c1)C(F)(F)F)C(F)(F)F
Isomeric Smiles
O(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(=O)c1ccc(cc1)CCl
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.97762
LogD (pH = 7.4)
5.97762
Log P
5.97762
Molar Refractivity
79.6752
Polarizability
28.767977
Polar Surface Area
26.3
Rotatable Bonds
6
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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