Molecule

ID:97536

General Information
Structure
MolImage
Molecular Formula
C₁₄H₉F₆NO
Molecular Mass
321.2177792
Exact Mass
321.05883323
Charge
0
InChI
InChI=1S/C14H9F6NO/c15-13(16,17)8-5-9(14(18,19)20)7-12(6-8)22-11-3-1-10(21)2-4-11/h1-7H,21H2
InChIKey
NVVAZFXYMGPKBC-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)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)c1ccc(cc1)N
Calculated Properties
JChem
H Acceptors
1
H Donor
1
LogD (pH = 5.5)
4.391819
LogD (pH = 7.4)
4.400196
Log P
4.400304
Molar Refractivity
68.9466
Polarizability
24.291563
Polar Surface Area
35.25
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
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Molecular Spectra
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Molecule Details
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References
Bioactivity
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