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1,12-Diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8-triene (HCID 9837281)|Huagongshe
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Compound
1,12-Diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8-triene
HCID
9837281
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Basic information
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Properties
Related reactions
Compound notes
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Basic information
Standard SMILES
c1cc2c3c(c1)C1CNCCC1N3CCC2
InChIKey
CNCZLLXGSLADGW-UHFFFAOYSA-N
Molecular formula
C14H18N2
Average molar mass
214.31 g/mol
Names & identifiers
Preferred name
1,12-Diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8-triene
IUPAC
1,12-diazatetracyclo[7.6.1.05,16.010,15]hexadeca-5(16),6,8-triene
Names & synonyms
SCHEMBL5413175
Database identifiers
PubChem CID
9837281
Properties
Computed structural properties
XLogP
2
Topological polar surface area
15.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
0
Heavy atoms
16
Formal charge
0
Complexity
278
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Related reactions
9 records
New reaction record
All
As reactant
As product
As reagent
As catalyst
As solvent
HRID
90166
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
HRID
836353
As reactant
Test data from https://doi.org/10.1039/C8SC04228D
HRID
1118152
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID
1127676
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
HRID
1203107
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID
1233539
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID
1236640
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (5/10)
HRID
1538877
As reactant
Training data from https://doi.org/10.1039/C8SC04228D (1/10)
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