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Chem 4713162124 Hexaoxa 110 Diazabicyclo888hexacosane Dsrpl | Cheminformatics

4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]he


  • SKU Code: CH141523
Chemical Name - 4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane
Mol Weight - 376.492
Smiles - C(COCCOCC1)N2CCOCCOCCN1CCOCCOCC2
Property Name Property Value
Mol Name4,7,13,16,21,24-hexaoxa-1,10-diazabicyclo[8.8.8]hexacosane
Molweight376.492
Monoisotopic Mass376.257338
Clogp-1.32
Clogs0.952
H Acceptors8
Total Surface Area314.78
Relative Psa0.21316
Polar Surface Area61.86
Druglikeness-9.0755
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Shape Index0.38462
Molecular Flexibility0.46922
Molecular Complexity0.53731
Fragments1
Non H Atoms26
Non Ch Atoms8
Electronegative Atoms8
Rings Closures2
Sp3 Atoms26
Symmetric Atoms21
Amines2
Alkyl Amines2
Basic Nitrogens2
SmilesC(COCCOCC1)N2CCOCCOCCN1CCOCCOCC2
InChIKeyInChI=1S/C18H36N2O6/c1-7-21-13-14-24-10-4-20-5-11-25-17-15-22-8-2-19(1)3-9-23-16-18-26-12-6-20/h1-18H2
InChIAUFVJZSDSXXFOI-UHFFFAOYSA-N

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