
 CHEMBL166803

100101  0  0  0  0  0  0  0  0999 V2000
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M  CHG  4  39   1  41  -1  42   1  44  -1
M  END

>  <Chemical Name>
CHEMBL166803

>  <PubChem CID>
44380975

>  <Formula>
C34H56N6O4

>  <Molecular Weight>
612.860000

>  <IUPAC Name>
N,N'-bis[6-[(4-nitrophenyl)methylamino]hexyl]octane-1,8-diamine

>  <XlogP>
6.5

>  <Hydrogen Bond Donors>
4

>  <Hydrogen Bond Acceptors>
8

>  <Canonical SMILES>
C1=CC(=CC=C1CNCCCCCCNCCCCCCCCNCCCCCCNCC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

>  <Isomeric SMILES>
C1=CC(=CC=C1CNCCCCCCNCCCCCCCCNCCCCCCNCC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-]

>  <InChI Std. ID>
InChI=1S/C34H56N6O4/c41-39(42)33-19-15-31(16-20-33)29-37-27-13-7-5-11-25-35-23-9-3-1-2-4-10-24-36-26-12-6-8-14-28-38-30-32-17-21-34(22-18-32)40(43)44/h15-22,35-38H,1-14,23-30H2

>  <InChI Key>
AGZMQFHXEWQEDZ-UHFFFAOYSA-N

