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4-(2,3-Dihydropyrrolo[3,2-c]cinnolin-1-yl)-3-methylphenol

HCID 20072756
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Basic information

Standard SMILES
Cc1cc(O)ccc1N1CCc2nnc3ccccc3c21
InChIKey
JFWLNTOATLYNMV-UHFFFAOYSA-N
Molecular formula
C17H15N3O
Average molar mass
277.32 g/mol

Names & identifiers

Preferred name
4-(2,3-Dihydropyrrolo[3,2-c]cinnolin-1-yl)-3-methylphenol
IUPAC
4-(2,3-dihydropyrrolo[3,2-c]cinnolin-1-yl)-3-methylphenol

Database identifiers

PubChem CID
20072756

Properties

Computed structural properties

XLogP
2.9
Topological polar surface area
49.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
21
Formal charge
0
Complexity
377

Related reactions

1 records
New reaction record
HRID 113900 reaction equation
HRID 113900As productTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

Compound notes

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