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5,6,7,8,14,15,16,17,23,24,25,26,32,33,34,35-hexadecafluoro-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19,21(38),22(27),23,25,28,30(37),31(36),32,34-nonadecaene

Formula:C32H2N8F16 Mutagenic:none Tumorigenic:none Reproductive Effective:none 5,6,7,8,14,15,16,17,23,24,25,26,32,33,34,35-hexadecafluoro-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19,21(38),22(27),23,25,28,30(37),31(36),32,34-nonadecaene is not a drug-like molecule.
MolName5,6,7,8,14,15,16,17,23,24,25,26,32,33,34,35-hexadecafluoro-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19,21(38),22(27),23,25,28,30(37),31(36),32,34-nonadecaene
MolecularFormulaC32H2N8F16
SmilesFc(c1c([nH]2)/N=C(/c(c(F)c3F)c4c(F)c3F)\N/C4=N\C(c(c3c(c(F)c4F)F)c4F)=N/C3=N\C(c(c3c(c(F)c4F)F)c4F)=N/C3=N\c2c1c(F)c1F)c1F
InChIInChI=1S/C32H2F16N8/c33-9-1-2(10(34)18(42)17(9)41)26-49-25(1)53-27-3-4(12(36)20(44)19(43)11(3)35)29(50-27)55-31-7-8(16(40)24(48)23(47)15(7)39)32(52-31)56-30-6-5(28(51-30)54-26)13(37)21(45)22(46)14(6)38/h(H2,49,50,51,52,53,54,55,56)
InChIKZCAPDAJQDNCVAE-UHFFFAOYSA-N
TotalMolweight802.392
Molweight802.392
MonoisotopicMass802.01469
CLogP6.4532
CLogS-13.901
H Acceptors8
H Donors2
TotalSurfaceArea473.59
Relative PSA0.19956
PolarSurfaceArea101.98
Druglikeness-0.1785
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functionspolyhalo aromatic ring; polyhalo aromatic ring; polyhalo aromatic ring; polyhalo aromatic ring
Shape Index0.28571
Fragments1
Non HAtoms56
NonCHAtoms24
Electronegative Atoms24
Rings Closures9
Small Rings8
Aromatic Rings5
Aromatic Atoms27
Aromatic Nitrogens1
BasicNitrogens5
StereoCon

Request More Details | 5,6,7,8,14,15,16,17,23,24,25,26,32,33,34,35-hexadecafluoro-2,11,20,29,37,38,39,40-octazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1,3,5,7,9,11,13(18),14,16,19,21(38),22(27),23,25,28,30(37),31(36),32,34-nonadecaene


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