Molecule

ID:96629

General Information
Structure
MolImage
Molecular Formula
C₁₄H₁₀F₆N₂O
Molecular Mass
336.2324192
Exact Mass
336.06973227
Charge
0
InChI
InChI=1S/C14H10F6N2O/c15-13(16,17)9-4-8(5-10(6-9)14(18,19)20)11-21-12(23-22-11)7-2-1-3-7/h4-7H,1-3H2
InChIKey
FJBZZTRVGRGIGP-UHFFFAOYSA-N
Canonic Smiles
FC(c1cc(cc(c1)c1noc(n1)C1CCC1)C(F)(F)F)(F)F
Isomeric Smiles
n1c(C2CCC2)onc1c1cc(cc(c1)C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
0
LogD (pH = 5.5)
5.249063
LogD (pH = 7.4)
5.249063
Log P
5.249063
Molar Refractivity
80.4735
Polarizability
24.911367
Polar Surface Area
38.92
Rotatable Bonds
4
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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