Molecule

ID:96403

General Information
Structure
MolImage
Molecular Formula
C₁₇H₁₃F₃N₂
Molecular Mass
302.2937296
Exact Mass
302.10308309
Charge
0
InChI
InChI=1S/C17H13F3N2/c18-17(19,20)16-15(14-9-5-2-6-10-14)12-22(21-16)11-13-7-3-1-4-8-13/h1-10,12H,11H2
InChIKey
OQTVEXBUAUCAGU-UHFFFAOYSA-N
Canonic Smiles
FC(c1nn(cc1c1ccccc1)Cc1ccccc1)(F)F
Isomeric Smiles
n1c(c(cn1Cc1ccccc1)c1ccccc1)C(F)(F)F
Calculated Properties
JChem
H Acceptors
1
H Donor
0
LogD (pH = 5.5)
5.036503
LogD (pH = 7.4)
5.0365033
Log P
5.0365033
Molar Refractivity
90.3119
Polarizability
30.35447
Polar Surface Area
17.82
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
No Data Available
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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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