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2-(Pyrrolo[1,2-a]indol-4-ylideneamino)oxyethanamine (HCID 44360645)|Huagongshe
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Compound
2-(Pyrrolo[1,2-a]indol-4-ylideneamino)oxyethanamine
HCID
44360645
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Basic information
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Properties
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Compound notes
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Basic information
Standard SMILES
NCCON=C1c2ccccc2-n2cccc21
InChIKey
DNJXPDYLZIVHDP-UHFFFAOYSA-N
Molecular formula
C13H13N3O
Average molar mass
227.26 g/mol
Names & identifiers
Preferred name
2-(Pyrrolo[1,2-a]indol-4-ylideneamino)oxyethanamine
IUPAC
2-(pyrrolo[1,2-a]indol-4-ylideneamino)oxyethanamine
Names & synonyms
CHEMBL141963
SCHEMBL8132022
Database identifiers
PubChem CID
44360645
ChEMBL
CHEMBL141963
Properties
Computed structural properties
XLogP
1.8
Topological polar surface area
52.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
17
Formal charge
0
Complexity
305
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Related reactions
1 records
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As solvent
HRID
88321
As product
Training data from https://doi.org/10.1039/C8SC04228D (2/10)
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