Molecule

ID:95601

General Information
Structure
MolImage
Molecular Formula
C₁₆H₁₀F₆O₃
Molecular Mass
364.2392192
Exact Mass
364.0534135
Charge
0
InChI
InChI=1S/C16H10F6O3/c17-15(18,19)8-4-7(5-9(6-8)16(20,21)22)10-2-1-3-11-12(10)14(24)25-13(11)23/h1-2,4-6,10-12H,3H2
InChIKey
VQSAROVLKPMLEQ-UHFFFAOYSA-N
Canonic Smiles
FC(c1cc(cc(c1)C(F)(F)F)C1C=CCC2C1C(=O)OC2=O)(F)F
Isomeric Smiles
O1C(=O)C2C(c3cc(cc(c3)C(F)(F)F)C(F)(F)F)C=CCC2C1=O
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
4.0616713
LogD (pH = 7.4)
4.0616713
Log P
4.0616713
Molar Refractivity
74.588
Polarizability
26.91596
Polar Surface Area
43.37
Rotatable Bonds
3
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
No Data Available
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Related Proteins
Molecular Spectra
No Data Available
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Molecule Details
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References
Bioactivity
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