Cairomycin B
Basic information
- CAS
62901-99-9- Standard SMILES
O=C1CC2NC(=O)C(CCCCN1)NC2=O- InChIKey
BFKVJADDVUKUIU-UHFFFAOYSA-N- Molecular formula
- C10H15N3O3
- Average molar mass
- 225.24 g/mol
- Monoisotopic mass
- 225.11134135
Names & identifiers
- Preferred name
- Cairomycin B
- IUPAC
- 4,10,12-triazabicyclo[7.2.2]tridecane-3,11,13-trione
Names & synonyms
Cairomycin B62901-99-9RefChem:1226764,10,12-triazabicyclo[7.2.2]tridecane-3,11,13-trione4,10,12-Triazabicyclo(7,2,2)tridecane-3,11,13-trioneBRN 5555805starbld0001398SCHEMBL29884929DTXSID10978685NSC299925NSC 299925NSC-299925
Show more names
DS-0145934,10,12-Triazabicyclo[7.2.2]trideca-3,10,12-triene-3,11,13-triol
Database identifiers
- CAS
62901-99-9- PubChem CID
- 100440
- DTXSID
DTXSID10978685- Nikkaji
- J18.707K
Properties
Computed structural properties
- XLogP
- -1.1
- Topological polar surface area
- 87.3 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 329
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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