Molecule

ID:97375

General Information
Structure
MolImage
Molecular Formula
C₁₆H₆F₅N₃O₂
Molecular Mass
367.229756
Exact Mass
367.03801755
Charge
0
InChI
InChI=1S/C16H6F5N3O2/c17-9-10(18)12(20)14(13(21)11(9)19)26-16(25)8-5-23-15(24-6-8)7-1-3-22-4-2-7/h1-6H
InChIKey
BXINIWMAHRQYJF-UHFFFAOYSA-N
Canonic Smiles
O=C(c1cnc(nc1)c1ccncc1)Oc1c(F)c(F)c(c(c1F)F)F
Isomeric Smiles
Fc1c(c(c(c(c1F)OC(=O)c1cnc(nc1)c1ccncc1)F)F)F
Calculated Properties
JChem
H Acceptors
4
H Donor
0
LogD (pH = 5.5)
3.6044781
LogD (pH = 7.4)
3.6061723
Log P
3.6061938
Molar Refractivity
88.8614
Polarizability
28.931187
Polar Surface Area
64.97
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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