Molecule

ID:6783

General Information
Structure
Molecular Formula
C₁₇H₁₆F₆N₂
Molecular Mass
362.3127592
Exact Mass
362.12176784
Charge
0
InChI
InChI=1S/C17H16F6N2/c1-9-3-5-11(7-13(9)24)15(16(18,19)20,17(21,22)23)12-6-4-10(2)14(25)8-12/h3-8H,24-25H2,1-2H3
InChIKey
HJSYPLCSZPEDCQ-UHFFFAOYSA-N
Canonic Smiles
Cc1ccc(cc1N)C(C(F)(F)F)(C(F)(F)F)c1ccc(c(c1)N)C
Isomeric Smiles
C(c1cc(c(cc1)C)N)(c1cc(c(cc1)C)N)(C(F)(F)F)C(F)(F)F
Calculated Properties
JChem
H Acceptors
2
H Donor
2
LogD (pH = 5.5)
4.746903
LogD (pH = 7.4)
4.7499127
Log P
4.749951
Molar Refractivity
96.6615
Polarizability
29.810762
Polar Surface Area
52.04
Rotatable Bonds
4
Lipinski's Rule of Five
true
Data Source
Names and Identifiers
Registration numbers
Properties
Related Proteins
No Data Available
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Molecular Spectra
No Data Available
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Molecule Details
References
Bioactivity
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