Menu

25-chloro-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(37),2,4,6,8,10,12,14,16,18,20,22(27),23,25,28(38),29,31,33,35-nonadecaene

Formula:C32H17N8Cl Mutagenic:none Tumorigenic:none Reproductive Effective:none 25-chloro-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(37),2,4,6,8,10,12,14,16,18,20,22(27),23,25,28(38),29,31,33,35-nonadecaene is not a drug-like molecule.
MolName25-chloro-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(37),2,4,6,8,10,12,14,16,18,20,22(27),23,25,28(38),29,31,33,35-nonadecaene
MolecularFormulaC32H17N8Cl
SmilesClc(cc1)cc2c1/C1=N/c([nH]3)c(cccc4)c4c3/N=C(/c3c4cccc3)\N/C4=N\C(c3c4cccc3)=N/C4=N\C2=N1
InChIInChI=1S/C32H17ClN8/c33-16-13-14-23-24(15-16)32-40-30-22-12-6-5-11-21(22)28(38-30)36-26-18-8-2-1-7-17(18)25(34-26)35-27-19-9-3-4-10-20(19)29(37-27)39-31(23)41-32/h1-15H,(H2,34,35,36,37,38,39,40,41)
InChIKDRNGKCNVIFHGMD-UHFFFAOYSA-N
TotalMolweight548.996
Molweight548.996
MonoisotopicMass548.126469
CLogP5.4464
CLogS-9.613
H Acceptors8
H Donors2
TotalSurfaceArea387.41
Relative PSA0.24395
PolarSurfaceArea101.98
Druglikeness1.4735
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritantnone
Nasty Functions
Shape Index0.36585
Fragments1
Non HAtoms41
NonCHAtoms9
Electronegative Atoms9
Rings Closures9
Small Rings8
Aromatic Rings5
Aromatic Atoms27
Aromatic Nitrogens1
BasicNitrogens5
StereoCon

Request More Details | 25-chloro-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(37),2,4,6,8,10,12,14,16,18,20,22(27),23,25,28(38),29,31,33,35-nonadecaene


SKU Product Name Product Unit Qty Supplier Email
User Name
User Email
Additional Comments