Agn-PC-0jkmgq
Basic information
- CAS
24354-10-7- Standard SMILES
CN1CC=C(C2(c3ccccc3)OC3CC4CCC(C4)C32)CC1- InChIKey
RNLTTWOXTYJZHD-UHFFFAOYSA-N- Molecular formula
- C21H27NO
- Average molar mass
- 309.4 g/mol
- Monoisotopic mass
- 309.20926449
Names & identifiers
- Preferred name
- Agn-PC-0jkmgq
- IUPAC
- 1-methyl-4-(3-phenyl-4-oxatricyclo[5.2.1.02,5]decan-3-yl)-3,6-dihydro-2H-pyridine
Names & synonyms
AGN-PC-0JKMGQDTXSID402749451-Methyl-4-(3-phenyl-4-oxatricyclo[5.2.1.0~2,5~]decan-3-yl)-1,2,3,6-tetrahydropyridine
Database identifiers
- CAS
24354-10-7- PubChem CID
- 32323
- DTXSID
DTXSID40274945
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 12.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 494
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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