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2,6,11,15,20,24,29,33,37,38,39,40-dodecazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene

Formula:C28H14N12 Mutagenic:none Tumorigenic:none Reproductive Effective:none 2,6,11,15,20,24,29,33,37,38,39,40-dodecazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene is not a drug-like molecule.
MolName2,6,11,15,20,24,29,33,37,38,39,40-dodecazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene
MolecularFormulaC28H14N12
Smilesc1cncc2c([nH]3)/N=C(/c4c5cncc4)\N/C5=N\C(c4c5cncc4)=N/C5=N\C(c4c5cncc4)=N/C5=N\c3c12
InChIInChI=1S/C28H14N12/c1-5-29-9-17-13(1)21-33-25(17)38-22-15-3-7-31-11-19(15)27(35-22)40-24-16-4-8-32-12-20(16)28(36-24)39-23-14-2-6-30-10-18(14)26(34-23)37-21/h1-12H,(H2,33,34,35,36,37,38,39,40)
InChIKSDFLUQJRLDXSSP-UHFFFAOYSA-N
TotalMolweight518.503
Molweight518.503
MonoisotopicMass518.146438
CLogP0.8368
CLogS-5.697
H Acceptors12
H Donors2
TotalSurfaceArea367.03
Relative PSA0.37705
PolarSurfaceArea153.54
Druglikeness1.6839
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.35
Fragments1
Non HAtoms40
NonCHAtoms12
Electronegative Atoms12
Rings Closures9
Small Rings8
Aromatic Rings5
Aromatic Atoms27
Aromatic Nitrogens5
BasicNitrogens5
StereoCon

Request More Details | 2,6,11,15,20,24,29,33,37,38,39,40-dodecazanonacyclo[28.6.1.13,10.112,19.121,28.04,9.013,18.022,27.031,36]tetraconta-1(37),2,4(9),5,7,10,12,14,16,18,20,22(27),23,25,28(38),29,31(36),32,34-nonadecaene


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