THONZONIUM

Search structure
Synonyms:
Status: Approved
Entry Type: Small molecule
Molecule Category: UNKNOWN
UNII: Z05ZE98FV8

Structure
InChI Key IOYZYMQFUSNATM-UHFFFAOYSA-N
Smile CCCCCCCCCCCCCCCC[N+](C)(C)CCN(Cc1ccc(OC)cc1)c1ncccn1
InChI
InChI=1S/C32H55N4O/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-27-36(2,3)28-26-35(32-33-24-19-25-34-32)29-30-20-22-31(37-4)23-21-30/h19-25H,5-18,26-29H2,1-4H3/q+1

Physicochemical Descriptors

Property Name Value
Molecular Formula C32H55N4O+
Molecular Weight 511.82
AlogP 8.05
Hydrogen Bond Acceptor 4.0
Hydrogen Bond Donor 0.0
Number of Rotational Bond 22.0
Polar Surface Area 38.25
Molecular species NEUTRAL
Aromatic Rings 2.0
Heavy Atoms 37.0

Related Entries

Scaffolds

Cross References

Resources Reference
ChEBI 94514
ChEMBL CHEMBL1201322
DrugBank DB09552
DrugCentral 4605
EPA CompTox DTXSID8048232
FDA SRS Z05ZE98FV8
PubChem 5456
SureChEMBL SCHEMBL5990893
ZINC ZINC000008035268
CONTENTS