Molecule

ID:96483

General Information
Structure
MolImage
Molecular Formula
C₁₆H₇F₉O₂
Molecular Mass
402.2112088
Exact Mass
402.03023344
Charge
0
InChI
InChI=1S/C16H7F9O2/c17-14(18,19)10-5-9(6-11(7-10)15(20,21)22)13(26)8-1-3-12(4-2-8)27-16(23,24)25/h1-7H
InChIKey
FZZLGZXGXJBXQS-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1ccc(cc1)OC(F)(F)F
Isomeric Smiles
O(c1ccc(cc1)C(=O)c1cc(cc(c1)C(F)(F)F)C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
6.619407
LogD (pH = 7.4)
6.619407
Log P
6.619407
Molar Refractivity
71.6512
Polarizability
26.866068
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
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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