Molecule

ID:66842

General Information
Structure
MolImage
Molecular Formula
C₁₁H₇F₆N₃
Molecular Mass
295.1837992
Exact Mass
295.05441656
Charge
0
InChI
InChI=1S/C11H7F6N3/c12-10(13,14)8-5-9(11(15,16)17)20(19-8)7-3-1-6(18)2-4-7/h1-5H,18H2
InChIKey
XOXBUERZFCPKDR-UHFFFAOYSA-N
Canonic Smiles
Nc1ccc(cc1)n1nc(cc1C(F)(F)F)C(F)(F)F
Isomeric Smiles
Nc1ccc(cc1)n1nc(cc1C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
1
LogD (pH = 5.5)
3.273202
LogD (pH = 7.4)
3.291449
Log P
3.2916868
Molar Refractivity
60.573
Polarizability
21.173367
Polar Surface Area
43.84
Rotatable Bonds
3
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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