Basic information
- Standard SMILES
O=[N+]([O-])c1ccc(-n2nnnc2OCCCC2CCCCC2)cc1- InChIKey
KOXJVMJODXVANM-UHFFFAOYSA-N- Molecular formula
- C16H21N5O3
- Average molar mass
- 331.37 g/mol
Names & identifiers
- Preferred name
- 5-(3-Cyclohexyl-propoxy)-1-(4-nitro-phenyl)-1H-tetrazole
- IUPAC
- 5-(3-cyclohexylpropoxy)-1-(4-nitrophenyl)tetrazole
Names & synonyms
SCHEMBL4672129KOXJVMJODXVANM-UHFFFAOYSA-N5-(3-Cyclohexyl-propoxy)-1-(4-nitro-phenyl)-1H-tetrazole
Database identifiers
- PubChem CID
- 22471700
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 98.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 392
Related reactions
3 records
Compound notes
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