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Compound
N-(9-azabicyclo[3.3.1]nonan-3-yl)-9H-xanthene-9-carboxamide
HCID
15480668
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Basic information
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Properties
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Basic information
Standard SMILES
O=C(NC1CC2CCCC(C1)N2)C1c2ccccc2Oc2ccccc21
InChIKey
IOYHFBVEUDMAOB-UHFFFAOYSA-N
Molecular formula
C22H24N2O2
Average molar mass
348.4 g/mol
Names & identifiers
Preferred name
N-(9-azabicyclo[3.3.1]nonan-3-yl)-9H-xanthene-9-carboxamide
IUPAC
N-(9-azabicyclo[3.3.1]nonan-3-yl)-9H-xanthene-9-carboxamide
Database identifiers
PubChem CID
15480668
Properties
Computed structural properties
XLogP
3.1
Topological polar surface area
50.4 Ų
Hydrogen bond donors
2
Hydrogen bond acceptors
3
Rotatable bonds
2
Heavy atoms
26
Formal charge
0
Complexity
490
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Related reactions
1 records
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HRID
682727
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
Compound notes
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N-(9-azabicyclo[3.3.1]nonan-3-yl)-9H-xanthene-9-carboxamide (HCID 15480668)|Huagongshe